(1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde

C9H12O — CID 130737161

IUPAC(1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde
SMILESC=CC1=CC[C@@H](C=O)CC1
InChIInChI=1S/C9H12O/c1-2-8-3-5-9(7-10)6-4-8/h2-3,7,9H,1,4-6H2/t9-/m1/s1
InChIKeyLDDGQAYLEBKARS-SECBINFHSA-N
MW136.19 g/mol
LogP2.10
Rot. Bonds2

About (1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde

(1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde (PubChem CID 130737161) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name(1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde
PubChem CID130737161
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde
SMILESC=CC1=CC[C@@H](C=O)CC1
InChIInChI=1S/C9H12O/c1-2-8-3-5-9(7-10)6-4-8/h2-3,7,9H,1,4-6H2/t9-/m1/s1
InChIKeyLDDGQAYLEBKARS-SECBINFHSA-N
XLogP2.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1R)-4-ethenylcyclohex-3-en-1-ol
CID 100956692
4-acetylcyclohex-3-ene-1-carbaldehyde
CID 13170150
1-[(E)-2-(4-ethenylcyclohex-3-en-1-yl)ethenyl]-2,3-difluoro-4-methylbenzene
CID 129043308
1-[(4-ethenylcyclohex-3-en-1-yl)methyl]cyclopropan-1-amine
CID 126604534
4,5-dimethylcyclohept-3-ene-1-carbaldehyde
CID 143847275
4-methylidenecyclohexane-1-carbaldehyde
CID 15818136
1-ethenylcyclobutene;3-ethenylcyclobutene
CID 23196725
cyclohexane-1,4-dicarbaldehyde;ethene
CID 155579013
4-ethenylcyclohexane-1-carbaldehyde
CID 15509286
3-ethenyl-7-oxabicyclo[4.1.0]hept-3-ene
CID 118278120
4-(4-formylcyclohexen-1-yl)-N-methylbenzamide
CID 144541584
3-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde;4-(4-methylpentyl)cyclohex-3-ene-1-carbaldehyde
CID 158372867

Frequently Asked Questions

What is the IUPAC name of (1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde?
The IUPAC name of (1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde (CID 130737161) is (1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for (1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for (1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde is C=CC1=CC[C@@H](C=O)CC1.
What is the InChIKey of (1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde?
The InChIKey is LDDGQAYLEBKARS-SECBINFHSA-N. The full InChI is InChI=1S/C9H12O/c1-2-8-3-5-9(7-10)6-4-8/h2-3,7,9H,1,4-6H2/t9-/m1/s1.
What are the key properties of (1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde?
(1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde has a molecular weight of 136.19 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-ethenylcyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 130737161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).