(4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane

C87H138O20Si2 — CID 160685005

IUPAC(4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane
SMILESCCOC(=O)C1CCC(=O)CC1.CCOC(=O)C1CCC2(CC1)OCCO2.CCOC1(OCC)CCC(COCc2ccccc2)CC1.C[Si](C)(C)OC1=C(O[Si](C)(C)C)CC1.O=C1CCC(COCc2ccccc2)CC1.OCC1CCC2(CC1)OCCO2.c1ccc(COCC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H28O3.C16H22O3.C14H18O2.C11H18O4.C10H22O2Si2.C9H16O3.C9H14O3/c1-3-20-18(21-4-2)12-10-17(11-13-18)15-19-14-16-8-6-5-7-9-16;1-2-4-14(5-3-1)12-17-13-15-6-8-16(9-7-15)18-10-11-19-16;15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12;1-2-13-10(12)9-3-5-11(6-4-9)14-7-8-15-11;1-13(2,3)11-9-7-8-10(9)12-14(4,5)6;10-7-8-1-3-9(4-2-8)11-5-6-12-9;1-2-12-9(11)7-3-5-8(10)6-4-7/h5-9,17H,3-4,10-15H2,1-2H3;1-5,15H,6-13H2;1-5,13H,6-11H2;9H,2-8H2,1H3;7-8H2,1-6H3;8,10H,1-7H2;7H,2-6H2,1H3
InChIKeyROQKWETUJYWEGB-UHFFFAOYSA-N
MW1560.21 g/mol
LogP17.66
Rot. Bonds25

About (4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane

(4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane (PubChem CID 160685005) has the molecular formula C87H138O20Si2 and a molecular weight of 1560.21 g/mol. Its IUPAC name is (4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane.

Molecular Properties

Compound Name(4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane
PubChem CID160685005
Molecular FormulaC87H138O20Si2
Molecular Weight1560.21 g/mol
Exact Mass1558.93
IUPAC Name(4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane
SMILESCCOC(=O)C1CCC(=O)CC1.CCOC(=O)C1CCC2(CC1)OCCO2.CCOC1(OCC)CCC(COCc2ccccc2)CC1.C[Si](C)(C)OC1=C(O[Si](C)(C)C)CC1.O=C1CCC(COCc2ccccc2)CC1.OCC1CCC2(CC1)OCCO2.c1ccc(COCC2CCC3(CC2)OCCO3)cc1
InChIInChI=1S/C18H28O3.C16H22O3.C14H18O2.C11H18O4.C10H22O2Si2.C9H16O3.C9H14O3/c1-3-20-18(21-4-2)12-10-17(11-13-18)15-19-14-16-8-6-5-7-9-16;1-2-4-14(5-3-1)12-17-13-15-6-8-16(9-7-15)18-10-11-19-16;15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12;1-2-13-10(12)9-3-5-11(6-4-9)14-7-8-15-11;1-13(2,3)11-9-7-8-10(9)12-14(4,5)6;10-7-8-1-3-9(4-2-8)11-5-6-12-9;1-2-12-9(11)7-3-5-8(10)6-4-7/h5-9,17H,3-4,10-15H2,1-2H3;1-5,15H,6-13H2;1-5,13H,6-11H2;9H,2-8H2,1H3;7-8H2,1-6H3;8,10H,1-7H2;7H,2-6H2,1H3
InChIKeyROQKWETUJYWEGB-UHFFFAOYSA-N
XLogP17.66
TPSA226.96 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001560.21
LogP ≤ 517.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane with MolForge

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Related Compounds

ethyl 4-oxocyclohexane-1-carboxylate;toluene
CID 174392547
ethyl 8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 58399380
ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 159011584
ethyl 4-(benzylsulfanylmethyl)-4-hydroxycyclohexane-1-carboxylate
CID 106497946
[(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 25130205
ethyl (2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 166815122
cis-ethyl (1R,2R)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylate
CID 11470338
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
ethyl (2S,6S)-6-(phenylmethoxymethyl)-3,6-dihydro-2H-thiopyran-2-carboxylate
CID 101028101
8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane
CID 58923565
ethyl 8-benzyl-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 59218761
benzyl 4-formylcyclohexane-1-carboxylate;benzyl 4-(hydroxymethyl)cyclohexane-1-carboxylate;dichloromethane
CID 157283088

Frequently Asked Questions

What is the IUPAC name of (4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane?
The IUPAC name of (4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane (CID 160685005) is (4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane.
What is the SMILES notation for (4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane?
The canonical SMILES for (4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane is CCOC(=O)C1CCC(=O)CC1.CCOC(=O)C1CCC2(CC1)OCCO2.CCOC1(OCC)CCC(COCc2ccccc2)CC1.C[Si](C)(C)OC1=C(O[Si](C)(C)C)CC1.O=C1CCC(COCc2ccccc2)CC1.OCC1CCC2(CC1)OCCO2.c1ccc(COCC2CCC3(CC2)OCCO3)cc1.
What is the InChIKey of (4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane?
The InChIKey is ROQKWETUJYWEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3.C16H22O3.C14H18O2.C11H18O4.C10H22O2Si2.C9H16O3.C9H14O3/c1-3-20-18(21-4-2)12-10-17(11-13-18)15-19-14-16-8-6-5-7-9-16;1-2-4-14(5-3-1)12-17-13-15-6-8-16(9-7-15)18-10-11-19-16;15-14-8-6-13(7-9-14)11-16-10-12-4-2-1-3-5-12;1-2-13-10(12)9-3-5-11(6-4-9)14-7-8-15-11;1-13(2,3)11-9-7-8-10(9)12-14(4,5)6;10-7-8-1-3-9(4-2-8)11-5-6-12-9;1-2-12-9(11)7-3-5-8(10)6-4-7/h5-9,17H,3-4,10-15H2,1-2H3;1-5,15H,6-13H2;1-5,13H,6-11H2;9H,2-8H2,1H3;7-8H2,1-6H3;8,10H,1-7H2;7H,2-6H2,1H3.
What are the key properties of (4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane?
(4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane has a molecular weight of 1560.21 g/mol, XLogP of 17.66, 25 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-diethoxycyclohexyl)methoxymethylbenzene;1,4-dioxaspiro[4.5]decan-8-ylmethanol;ethyl 1,4-dioxaspiro[4.5]decane-8-carboxylate;ethyl 4-oxocyclohexane-1-carboxylate;4-(phenylmethoxymethyl)cyclohexan-1-one;8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane;trimethyl-(2-trimethylsilyloxycyclobuten-1-yl)oxysilane is sourced from PubChem (CID 160685005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).