(4S)-4-methoxy-4-prop-2-enylcyclohexene

C10H16O — CID 101200197

IUPAC(4S)-4-methoxy-4-prop-2-enylcyclohexene
SMILESC=CC[C@]1(OC)CC=CCC1
InChIInChI=1S/C10H16O/c1-3-7-10(11-2)8-5-4-6-9-10/h3-5H,1,6-9H2,2H3/t10-/m0/s1
InChIKeyRPYKOEOXNAFAPR-JTQLQIEISA-N
MW152.24 g/mol
LogP2.69
Rot. Bonds3

About (4S)-4-methoxy-4-prop-2-enylcyclohexene

(4S)-4-methoxy-4-prop-2-enylcyclohexene (PubChem CID 101200197) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (4S)-4-methoxy-4-prop-2-enylcyclohexene.

Molecular Properties

Compound Name(4S)-4-methoxy-4-prop-2-enylcyclohexene
PubChem CID101200197
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(4S)-4-methoxy-4-prop-2-enylcyclohexene
SMILESC=CC[C@]1(OC)CC=CCC1
InChIInChI=1S/C10H16O/c1-3-7-10(11-2)8-5-4-6-9-10/h3-5H,1,6-9H2,2H3/t10-/m0/s1
InChIKeyRPYKOEOXNAFAPR-JTQLQIEISA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
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 (4S)-4-methoxy-4-prop-2-enylcyclohexene?
The IUPAC name of (4S)-4-methoxy-4-prop-2-enylcyclohexene (CID 101200197) is (4S)-4-methoxy-4-prop-2-enylcyclohexene.
What is the SMILES notation for (4S)-4-methoxy-4-prop-2-enylcyclohexene?
The canonical SMILES for (4S)-4-methoxy-4-prop-2-enylcyclohexene is C=CC[C@]1(OC)CC=CCC1.
What is the InChIKey of (4S)-4-methoxy-4-prop-2-enylcyclohexene?
The InChIKey is RPYKOEOXNAFAPR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16O/c1-3-7-10(11-2)8-5-4-6-9-10/h3-5H,1,6-9H2,2H3/t10-/m0/s1.
What are the key properties of (4S)-4-methoxy-4-prop-2-enylcyclohexene?
(4S)-4-methoxy-4-prop-2-enylcyclohexene has a molecular weight of 152.24 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-4-prop-2-enylcyclohexene is sourced from PubChem (CID 101200197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).