2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol

C16H28O4 — CID 116753294

IUPAC2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol
SMILESCOC1(C(O)C2CCOC3(CCOC3)C2)CCCCC1
InChIInChI=1S/C16H28O4/c1-18-16(6-3-2-4-7-16)14(17)13-5-9-20-15(11-13)8-10-19-12-15/h13-14,17H,2-12H2,1H3
InChIKeyUCEIJIWYBIKPPY-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.28
Rot. Bonds3

About 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol

2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol (PubChem CID 116753294) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol.

Molecular Properties

Compound Name2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol
PubChem CID116753294
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol
SMILESCOC1(C(O)C2CCOC3(CCOC3)C2)CCCCC1
InChIInChI=1S/C16H28O4/c1-18-16(6-3-2-4-7-16)14(17)13-5-9-20-15(11-13)8-10-19-12-15/h13-14,17H,2-12H2,1H3
InChIKeyUCEIJIWYBIKPPY-UHFFFAOYSA-N
XLogP2.28
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxy-4-methylcyclohexyl)methanol
CID 116754417
2,6-dioxaspiro[4.5]decan-9-yl-(4-methoxyoxan-4-yl)methanamine
CID 116764369
(2,2-dimethylcyclohexyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 107192712
(1-methoxycyclobutyl)-(oxan-4-yl)methanol
CID 116710425
1-[1,9-dioxaspiro[5.5]undecan-4-yl(hydroxy)methyl]cyclohexan-1-ol
CID 103451663
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-methoxy-2-methylpropan-1-ol
CID 79921673
cyclopropyl-(1-methoxycycloheptyl)methanol
CID 116755940
cyclopropyl(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 79913944
2,6-dioxaspiro[4.5]decan-9-yl-(3-methylcyclohexyl)methanol
CID 79913506
(4-methoxyoxan-4-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 116764461
(2,2-dimethylcyclopentyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 107192711
(4-methoxyoxan-4-yl)-(oxan-4-yl)methanol
CID 116753889

Frequently Asked Questions

What is the IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol?
The IUPAC name of 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol (CID 116753294) is 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol.
What is the SMILES notation for 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol?
The canonical SMILES for 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol is COC1(C(O)C2CCOC3(CCOC3)C2)CCCCC1.
What is the InChIKey of 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol?
The InChIKey is UCEIJIWYBIKPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-18-16(6-3-2-4-7-16)14(17)13-5-9-20-15(11-13)8-10-19-12-15/h13-14,17H,2-12H2,1H3.
What are the key properties of 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol?
2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol has a molecular weight of 284.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxaspiro[4.5]decan-9-yl-(1-methoxycyclohexyl)methanol is sourced from PubChem (CID 116753294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).