3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol

C15H28O2 — CID 65147877

IUPAC3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(CC2CCOCC2)C1
InChIInChI=1S/C15H28O2/c1-12-8-14(2,3)11-15(16,9-12)10-13-4-6-17-7-5-13/h12-13,16H,4-11H2,1-3H3
InChIKeyZKNFQIFIIVZZID-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.38
Rot. Bonds2

About 3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol

3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol (PubChem CID 65147877) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is 3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
PubChem CID65147877
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol
SMILESCC1CC(C)(C)CC(O)(CC2CCOCC2)C1
InChIInChI=1S/C15H28O2/c1-12-8-14(2,3)11-15(16,9-12)10-13-4-6-17-7-5-13/h12-13,16H,4-11H2,1-3H3
InChIKeyZKNFQIFIIVZZID-UHFFFAOYSA-N
XLogP3.38
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.38
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-(oxan-4-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol (CID 65147877) is 3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol is CC1CC(C)(C)CC(O)(CC2CCOCC2)C1.
What is the InChIKey of 3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
The InChIKey is ZKNFQIFIIVZZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2/c1-12-8-14(2,3)11-15(16,9-12)10-13-4-6-17-7-5-13/h12-13,16H,4-11H2,1-3H3.
What are the key properties of 3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol?
3,3,5-trimethyl-1-(oxan-4-ylmethyl)cyclohexan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 3.38, 2 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-(oxan-4-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 65147877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).