(1S)-3-ethylcyclohex-2-en-1-ol

C8H14O — CID 10855462

IUPAC(1S)-3-ethylcyclohex-2-en-1-ol
SMILESCCC1=C[C@@H](O)CCC1
InChIInChI=1S/C8H14O/c1-2-7-4-3-5-8(9)6-7/h6,8-9H,2-5H2,1H3/t8-/m0/s1
InChIKeyMYVDVGIIHYTFCZ-QMMMGPOBSA-N
MW126.20 g/mol
LogP1.87
Rot. Bonds1

About (1S)-3-ethylcyclohex-2-en-1-ol

(1S)-3-ethylcyclohex-2-en-1-ol (PubChem CID 10855462) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is (1S)-3-ethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-3-ethylcyclohex-2-en-1-ol
PubChem CID10855462
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name(1S)-3-ethylcyclohex-2-en-1-ol
SMILESCCC1=C[C@@H](O)CCC1
InChIInChI=1S/C8H14O/c1-2-7-4-3-5-8(9)6-7/h6,8-9H,2-5H2,1H3/t8-/m0/s1
InChIKeyMYVDVGIIHYTFCZ-QMMMGPOBSA-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)-3-ethylcyclohex-2-en-1-ol?
The IUPAC name of (1S)-3-ethylcyclohex-2-en-1-ol (CID 10855462) is (1S)-3-ethylcyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-3-ethylcyclohex-2-en-1-ol?
The canonical SMILES for (1S)-3-ethylcyclohex-2-en-1-ol is CCC1=C[C@@H](O)CCC1.
What is the InChIKey of (1S)-3-ethylcyclohex-2-en-1-ol?
The InChIKey is MYVDVGIIHYTFCZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H14O/c1-2-7-4-3-5-8(9)6-7/h6,8-9H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-3-ethylcyclohex-2-en-1-ol?
(1S)-3-ethylcyclohex-2-en-1-ol 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)-3-ethylcyclohex-2-en-1-ol is sourced from PubChem (CID 10855462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).