(1S)-1-(2,2,3-trimethylcyclopentyl)ethanol

C10H20O — CID 66898256

IUPAC(1S)-1-(2,2,3-trimethylcyclopentyl)ethanol
SMILESCC1CCC([C@H](C)O)C1(C)C
InChIInChI=1S/C10H20O/c1-7-5-6-9(8(2)11)10(7,3)4/h7-9,11H,5-6H2,1-4H3/t7?,8-,9?/m0/s1
InChIKeyJMXZLWGJVDCQPR-MGURRDGZSA-N
MW156.27 g/mol
LogP2.44
Rot. Bonds1

About (1S)-1-(2,2,3-trimethylcyclopentyl)ethanol

(1S)-1-(2,2,3-trimethylcyclopentyl)ethanol (PubChem CID 66898256) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (1S)-1-(2,2,3-trimethylcyclopentyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(2,2,3-trimethylcyclopentyl)ethanol
PubChem CID66898256
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(1S)-1-(2,2,3-trimethylcyclopentyl)ethanol
SMILESCC1CCC([C@H](C)O)C1(C)C
InChIInChI=1S/C10H20O/c1-7-5-6-9(8(2)11)10(7,3)4/h7-9,11H,5-6H2,1-4H3/t7?,8-,9?/m0/s1
InChIKeyJMXZLWGJVDCQPR-MGURRDGZSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,2,3-trimethylcyclopentyl)ethanol?
The IUPAC name of (1S)-1-(2,2,3-trimethylcyclopentyl)ethanol (CID 66898256) is (1S)-1-(2,2,3-trimethylcyclopentyl)ethanol.
What is the SMILES notation for (1S)-1-(2,2,3-trimethylcyclopentyl)ethanol?
The canonical SMILES for (1S)-1-(2,2,3-trimethylcyclopentyl)ethanol is CC1CCC([C@H](C)O)C1(C)C.
What is the InChIKey of (1S)-1-(2,2,3-trimethylcyclopentyl)ethanol?
The InChIKey is JMXZLWGJVDCQPR-MGURRDGZSA-N. The full InChI is InChI=1S/C10H20O/c1-7-5-6-9(8(2)11)10(7,3)4/h7-9,11H,5-6H2,1-4H3/t7?,8-,9?/m0/s1.
What are the key properties of (1S)-1-(2,2,3-trimethylcyclopentyl)ethanol?
(1S)-1-(2,2,3-trimethylcyclopentyl)ethanol has a molecular weight of 156.27 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,2,3-trimethylcyclopentyl)ethanol is sourced from PubChem (CID 66898256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).