(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde

C10H14O — CID 2724159

IUPAC(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
SMILESC=C(C)[C@@H]1CC=C(C=O)CC1
InChIInChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1
InChIKeyRUMOYJJNUMEFDD-SNVBAGLBSA-N
MW150.22 g/mol
LogP2.49
Rot. Bonds2

About (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde

(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde (PubChem CID 2724159) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
PubChem CID2724159
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
SMILESC=C(C)[C@@H]1CC=C(C=O)CC1
InChIInChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1
InChIKeyRUMOYJJNUMEFDD-SNVBAGLBSA-N
XLogP2.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
The IUPAC name of (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde (CID 2724159) is (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde.
What is the SMILES notation for (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
The canonical SMILES for (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde is C=C(C)[C@@H]1CC=C(C=O)CC1.
What is the InChIKey of (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
The InChIKey is RUMOYJJNUMEFDD-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3/t10-/m1/s1.
What are the key properties of (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
(4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde has a molecular weight of 150.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 2724159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).