3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol

C14H26O2 — CID 65153619

IUPAC3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESCC1(C)CCCC(O)(CC2CCOCC2)C1
InChIInChI=1S/C14H26O2/c1-13(2)6-3-7-14(15,11-13)10-12-4-8-16-9-5-12/h12,15H,3-11H2,1-2H3
InChIKeyWRGHYMVQYXZNME-UHFFFAOYSA-N
MW226.36 g/mol
LogP3.13
Rot. Bonds2

About 3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol

3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol (PubChem CID 65153619) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
PubChem CID65153619
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESCC1(C)CCCC(O)(CC2CCOCC2)C1
InChIInChI=1S/C14H26O2/c1-13(2)6-3-7-14(15,11-13)10-12-4-8-16-9-5-12/h12,15H,3-11H2,1-2H3
InChIKeyWRGHYMVQYXZNME-UHFFFAOYSA-N
XLogP3.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol (CID 65153619) is 3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol is CC1(C)CCCC(O)(CC2CCOCC2)C1.
What is the InChIKey of 3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is WRGHYMVQYXZNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-13(2)6-3-7-14(15,11-13)10-12-4-8-16-9-5-12/h12,15H,3-11H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 65153619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).