(3S)-3-propylcyclohexene

C9H16 — CID 53245654

IUPAC(3S)-3-propylcyclohexene
SMILESCCC[C@@H]1C=CCCC1
InChIInChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h4,7,9H,2-3,5-6,8H2,1H3/t9-/m1/s1
InChIKeyXWIMYKYUBWUJOH-SECBINFHSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds2

About (3S)-3-propylcyclohexene

(3S)-3-propylcyclohexene (PubChem CID 53245654) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is (3S)-3-propylcyclohexene.

Molecular Properties

Compound Name(3S)-3-propylcyclohexene
PubChem CID53245654
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name(3S)-3-propylcyclohexene
SMILESCCC[C@@H]1C=CCCC1
InChIInChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h4,7,9H,2-3,5-6,8H2,1H3/t9-/m1/s1
InChIKeyXWIMYKYUBWUJOH-SECBINFHSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (3S)-3-propylcyclohexene?
The IUPAC name of (3S)-3-propylcyclohexene (CID 53245654) is (3S)-3-propylcyclohexene.
What is the SMILES notation for (3S)-3-propylcyclohexene?
The canonical SMILES for (3S)-3-propylcyclohexene is CCC[C@@H]1C=CCCC1.
What is the InChIKey of (3S)-3-propylcyclohexene?
The InChIKey is XWIMYKYUBWUJOH-SECBINFHSA-N. The full InChI is InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h4,7,9H,2-3,5-6,8H2,1H3/t9-/m1/s1.
What are the key properties of (3S)-3-propylcyclohexene?
(3S)-3-propylcyclohexene has a molecular weight of 124.23 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propylcyclohexene is sourced from PubChem (CID 53245654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).