(1S)-1-(cyclohexen-1-yl)ethanol

C8H14O — CID 11018877

IUPAC(1S)-1-(cyclohexen-1-yl)ethanol
SMILESC[C@H](O)C1=CCCCC1
InChIInChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h5,7,9H,2-4,6H2,1H3/t7-/m0/s1
InChIKeyFAYUSHUTMRYHAD-ZETCQYMHSA-N
MW126.20 g/mol
LogP1.87
Rot. Bonds1

About (1S)-1-(cyclohexen-1-yl)ethanol

(1S)-1-(cyclohexen-1-yl)ethanol (PubChem CID 11018877) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1S)-1-(cyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(cyclohexen-1-yl)ethanol
PubChem CID11018877
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1S)-1-(cyclohexen-1-yl)ethanol
SMILESC[C@H](O)C1=CCCCC1
InChIInChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h5,7,9H,2-4,6H2,1H3/t7-/m0/s1
InChIKeyFAYUSHUTMRYHAD-ZETCQYMHSA-N
XLogP1.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(cyclohexen-1-yl)ethanol?
The IUPAC name of (1S)-1-(cyclohexen-1-yl)ethanol (CID 11018877) is (1S)-1-(cyclohexen-1-yl)ethanol.
What is the SMILES notation for (1S)-1-(cyclohexen-1-yl)ethanol?
The canonical SMILES for (1S)-1-(cyclohexen-1-yl)ethanol is C[C@H](O)C1=CCCCC1.
What is the InChIKey of (1S)-1-(cyclohexen-1-yl)ethanol?
The InChIKey is FAYUSHUTMRYHAD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H14O/c1-7(9)8-5-3-2-4-6-8/h5,7,9H,2-4,6H2,1H3/t7-/m0/s1.
What are the key properties of (1S)-1-(cyclohexen-1-yl)ethanol?
(1S)-1-(cyclohexen-1-yl)ethanol has a molecular weight of 126.20 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(cyclohexen-1-yl)ethanol is sourced from PubChem (CID 11018877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).