3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol

C13H24O2 — CID 63565299

IUPAC3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(C2CCOC2)C1
InChIInChI=1S/C13H24O2/c1-10-6-12(2,3)9-13(14,7-10)11-4-5-15-8-11/h10-11,14H,4-9H2,1-3H3
InChIKeyVZCVKKCKAQEUQE-UHFFFAOYSA-N
MW212.33 g/mol
LogP2.60
Rot. Bonds1

About 3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol

3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol (PubChem CID 63565299) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol
PubChem CID63565299
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(C2CCOC2)C1
InChIInChI=1S/C13H24O2/c1-10-6-12(2,3)9-13(14,7-10)11-4-5-15-8-11/h10-11,14H,4-9H2,1-3H3
InChIKeyVZCVKKCKAQEUQE-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol?
The IUPAC name of 3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol (CID 63565299) is 3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol?
The canonical SMILES for 3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol is CC1CC(C)(C)CC(O)(C2CCOC2)C1.
What is the InChIKey of 3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol?
The InChIKey is VZCVKKCKAQEUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-10-6-12(2,3)9-13(14,7-10)11-4-5-15-8-11/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol?
3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol has a molecular weight of 212.33 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-1-(oxolan-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 63565299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).