4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one

C26H42O3 — CID 140597292

IUPAC4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one
SMILESO=C1CCC(C2CCC(COCC3CCC(C4CCC(=O)CC4)CC3)CC2)CC1
InChIInChI=1S/C26H42O3/c27-25-13-9-23(10-14-25)21-5-1-19(2-6-21)17-29-18-20-3-7-22(8-4-20)24-11-15-26(28)16-12-24/h19-24H,1-18H2
InChIKeyUVSSLAYJZLINBF-UHFFFAOYSA-N
MW402.62 g/mol
LogP6.13
Rot. Bonds6

About 4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one

4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one (PubChem CID 140597292) has the molecular formula C26H42O3 and a molecular weight of 402.62 g/mol. Its IUPAC name is 4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one
PubChem CID140597292
Molecular FormulaC26H42O3
Molecular Weight402.62 g/mol
Exact Mass402.31
IUPAC Name4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one
SMILESO=C1CCC(C2CCC(COCC3CCC(C4CCC(=O)CC4)CC3)CC2)CC1
InChIInChI=1S/C26H42O3/c27-25-13-9-23(10-14-25)21-5-1-19(2-6-21)17-29-18-20-3-7-22(8-4-20)24-11-15-26(28)16-12-24/h19-24H,1-18H2
InChIKeyUVSSLAYJZLINBF-UHFFFAOYSA-N
XLogP6.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.62
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one with MolForge

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Related Compounds

4-(cyclopropylmethoxymethoxy)cyclohexan-1-one
CID 106929555
4-(prop-2-enoxymethyl)cyclohexan-1-one
CID 58548771
cyclopropylmethoxymethylcyclopropane;hydron
CID 175036707
4-(4-hydroxycyclohexyl)cyclohexan-1-one
CID 10198069
4-(4-methoxycyclohexyl)cyclohexan-1-one
CID 22492944
(4-oxocyclohexyl)methoxy thiohypoiodite
CID 143754074
4-[4-[4-(4-oxocyclohexyl)cyclohexanecarbonyl]cyclohexyl]cyclohexan-1-one
CID 140670642
4-[(2-fluorophenyl)methoxymethyl]cyclohexan-1-one
CID 58923599
5-(phenylmethoxymethyl)cyclooctan-1-one
CID 10900938
1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
2-(cyclopropylmethoxymethoxy)ethanamine
CID 106938060
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one?
The IUPAC name of 4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one (CID 140597292) is 4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one.
What is the SMILES notation for 4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one?
The canonical SMILES for 4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one is O=C1CCC(C2CCC(COCC3CCC(C4CCC(=O)CC4)CC3)CC2)CC1.
What is the InChIKey of 4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one?
The InChIKey is UVSSLAYJZLINBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42O3/c27-25-13-9-23(10-14-25)21-5-1-19(2-6-21)17-29-18-20-3-7-22(8-4-20)24-11-15-26(28)16-12-24/h19-24H,1-18H2.
What are the key properties of 4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one?
4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one has a molecular weight of 402.62 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(4-oxocyclohexyl)cyclohexyl]methoxymethyl]cyclohexyl]cyclohexan-1-one is sourced from PubChem (CID 140597292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).