(1S)-1-(4,4-dimethylcyclohexyl)ethanol

C10H20O — CID 65391478

IUPAC(1S)-1-(4,4-dimethylcyclohexyl)ethanol
SMILESC[C@H](O)C1CCC(C)(C)CC1
InChIInChI=1S/C10H20O/c1-8(11)9-4-6-10(2,3)7-5-9/h8-9,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyNGXBBGBKSFZOCF-QMMMGPOBSA-N
MW156.27 g/mol
LogP2.58
Rot. Bonds1

About (1S)-1-(4,4-dimethylcyclohexyl)ethanol

(1S)-1-(4,4-dimethylcyclohexyl)ethanol (PubChem CID 65391478) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (1S)-1-(4,4-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(4,4-dimethylcyclohexyl)ethanol
PubChem CID65391478
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(1S)-1-(4,4-dimethylcyclohexyl)ethanol
SMILESC[C@H](O)C1CCC(C)(C)CC1
InChIInChI=1S/C10H20O/c1-8(11)9-4-6-10(2,3)7-5-9/h8-9,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyNGXBBGBKSFZOCF-QMMMGPOBSA-N
XLogP2.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4,4-dimethylcyclohexyl)ethanol?
The IUPAC name of (1S)-1-(4,4-dimethylcyclohexyl)ethanol (CID 65391478) is (1S)-1-(4,4-dimethylcyclohexyl)ethanol.
What is the SMILES notation for (1S)-1-(4,4-dimethylcyclohexyl)ethanol?
The canonical SMILES for (1S)-1-(4,4-dimethylcyclohexyl)ethanol is C[C@H](O)C1CCC(C)(C)CC1.
What is the InChIKey of (1S)-1-(4,4-dimethylcyclohexyl)ethanol?
The InChIKey is NGXBBGBKSFZOCF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20O/c1-8(11)9-4-6-10(2,3)7-5-9/h8-9,11H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(4,4-dimethylcyclohexyl)ethanol?
(1S)-1-(4,4-dimethylcyclohexyl)ethanol has a molecular weight of 156.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4,4-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 65391478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).