2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol

C18H32O2 — CID 81314576

IUPAC2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H32O2/c1-14-12-16(2,3)9-10-18(14,19)15-6-11-20-17(13-15)7-4-5-8-17/h14-15,19H,4-13H2,1-3H3
InChIKeyHWEXFLGLWZPUMZ-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.30
Rot. Bonds1

About 2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol

2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol (PubChem CID 81314576) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
PubChem CID81314576
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H32O2/c1-14-12-16(2,3)9-10-18(14,19)15-6-11-20-17(13-15)7-4-5-8-17/h14-15,19H,4-13H2,1-3H3
InChIKeyHWEXFLGLWZPUMZ-UHFFFAOYSA-N
XLogP4.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79898835
4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-ol
CID 79913776
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854
2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913866
5,5-dimethyl-3-(6-oxaspiro[4.5]decan-9-yl)thian-3-ol
CID 79947103
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913769
3-(6-oxaspiro[4.5]decan-9-yl)oxan-3-ol
CID 79913860
2,2-dimethyl-4-(6-oxaspiro[4.5]decan-9-yl)oxan-4-ol
CID 79912832
2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclopentan-1-ol
CID 79912938
1,3,3-trimethyl-2-(6-oxaspiro[4.5]decan-9-yl)bicyclo[2.2.1]heptan-2-ol
CID 115401216

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol (CID 81314576) is 2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol is CC1CC(C)(C)CCC1(O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
The InChIKey is HWEXFLGLWZPUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-14-12-16(2,3)9-10-18(14,19)15-6-11-20-17(13-15)7-4-5-8-17/h14-15,19H,4-13H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol?
2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol has a molecular weight of 280.45 g/mol, XLogP of 4.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-ol is sourced from PubChem (CID 81314576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).