(1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol

C14H28O — CID 71197468

IUPAC(1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol
SMILESCC(C)CCC1C(C)C[C@@H](O)CC1(C)C
InChIInChI=1S/C14H28O/c1-10(2)6-7-13-11(3)8-12(15)9-14(13,4)5/h10-13,15H,6-9H2,1-5H3/t11?,12-,13?/m1/s1
InChIKeyOVVWEJMYPXRMGO-OTTFEQOBSA-N
MW212.38 g/mol
LogP3.86
Rot. Bonds3

About (1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol

(1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol (PubChem CID 71197468) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol
PubChem CID71197468
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol
SMILESCC(C)CCC1C(C)C[C@@H](O)CC1(C)C
InChIInChI=1S/C14H28O/c1-10(2)6-7-13-11(3)8-12(15)9-14(13,4)5/h10-13,15H,6-9H2,1-5H3/t11?,12-,13?/m1/s1
InChIKeyOVVWEJMYPXRMGO-OTTFEQOBSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol?
The IUPAC name of (1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol (CID 71197468) is (1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol.
What is the SMILES notation for (1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol?
The canonical SMILES for (1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol is CC(C)CCC1C(C)C[C@@H](O)CC1(C)C.
What is the InChIKey of (1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol?
The InChIKey is OVVWEJMYPXRMGO-OTTFEQOBSA-N. The full InChI is InChI=1S/C14H28O/c1-10(2)6-7-13-11(3)8-12(15)9-14(13,4)5/h10-13,15H,6-9H2,1-5H3/t11?,12-,13?/m1/s1.
What are the key properties of (1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol?
(1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol has a molecular weight of 212.38 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3,3,5-trimethyl-4-(3-methylbutyl)cyclohexan-1-ol is sourced from PubChem (CID 71197468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).