4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol

C18H32O2 — CID 79913965

IUPAC4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
SMILESCC1(C)CCC(O)(C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C18H32O2/c1-16(2)9-11-18(19,12-10-16)15-6-13-20-17(14-15)7-4-3-5-8-17/h15,19H,3-14H2,1-2H3
InChIKeyFDBLOMAPUWTFAU-UHFFFAOYSA-N
MW280.45 g/mol
LogP4.45
Rot. Bonds1

About 4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol

4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol (PubChem CID 79913965) has the molecular formula C18H32O2 and a molecular weight of 280.45 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
PubChem CID79913965
Molecular FormulaC18H32O2
Molecular Weight280.45 g/mol
Exact Mass280.24
IUPAC Name4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
SMILESCC1(C)CCC(O)(C2CCOC3(CCCCC3)C2)CC1
InChIInChI=1S/C18H32O2/c1-16(2)9-11-18(19,12-10-16)15-6-13-20-17(14-15)7-4-3-5-8-17/h15,19H,3-14H2,1-2H3
InChIKeyFDBLOMAPUWTFAU-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
The IUPAC name of 4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol (CID 79913965) is 4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
The canonical SMILES for 4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol is CC1(C)CCC(O)(C2CCOC3(CCCCC3)C2)CC1.
What is the InChIKey of 4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
The InChIKey is FDBLOMAPUWTFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O2/c1-16(2)9-11-18(19,12-10-16)15-6-13-20-17(14-15)7-4-3-5-8-17/h15,19H,3-14H2,1-2H3.
What are the key properties of 4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol?
4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol has a molecular weight of 280.45 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 79913965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).