(5R)-6-ethyl-5-methylcyclohex-3-en-1-ol

C9H16O — CID 89393198

IUPAC(5R)-6-ethyl-5-methylcyclohex-3-en-1-ol
SMILESCCC1C(O)CC=C[C@H]1C
InChIInChI=1S/C9H16O/c1-3-8-7(2)5-4-6-9(8)10/h4-5,7-10H,3,6H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyDNPXWHLPNAQMFR-AFPNSQJFSA-N
MW140.23 g/mol
LogP1.97
Rot. Bonds1

About (5R)-6-ethyl-5-methylcyclohex-3-en-1-ol

(5R)-6-ethyl-5-methylcyclohex-3-en-1-ol (PubChem CID 89393198) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is (5R)-6-ethyl-5-methylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name(5R)-6-ethyl-5-methylcyclohex-3-en-1-ol
PubChem CID89393198
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name(5R)-6-ethyl-5-methylcyclohex-3-en-1-ol
SMILESCCC1C(O)CC=C[C@H]1C
InChIInChI=1S/C9H16O/c1-3-8-7(2)5-4-6-9(8)10/h4-5,7-10H,3,6H2,1-2H3/t7-,8?,9?/m1/s1
InChIKeyDNPXWHLPNAQMFR-AFPNSQJFSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.97
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 (5R)-6-ethyl-5-methylcyclohex-3-en-1-ol?
The IUPAC name of (5R)-6-ethyl-5-methylcyclohex-3-en-1-ol (CID 89393198) is (5R)-6-ethyl-5-methylcyclohex-3-en-1-ol.
What is the SMILES notation for (5R)-6-ethyl-5-methylcyclohex-3-en-1-ol?
The canonical SMILES for (5R)-6-ethyl-5-methylcyclohex-3-en-1-ol is CCC1C(O)CC=C[C@H]1C.
What is the InChIKey of (5R)-6-ethyl-5-methylcyclohex-3-en-1-ol?
The InChIKey is DNPXWHLPNAQMFR-AFPNSQJFSA-N. The full InChI is InChI=1S/C9H16O/c1-3-8-7(2)5-4-6-9(8)10/h4-5,7-10H,3,6H2,1-2H3/t7-,8?,9?/m1/s1.
What are the key properties of (5R)-6-ethyl-5-methylcyclohex-3-en-1-ol?
(5R)-6-ethyl-5-methylcyclohex-3-en-1-ol has a molecular weight of 140.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-ethyl-5-methylcyclohex-3-en-1-ol is sourced from PubChem (CID 89393198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).