4-propan-2-ylcyclohex-3-ene-1-carbaldehyde

C10H16O — CID 15601950

IUPAC4-propan-2-ylcyclohex-3-ene-1-carbaldehyde
SMILESCC(C)C1=CCC(C=O)CC1
InChIInChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyMGJVBPPEWVKZTN-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds2

About 4-propan-2-ylcyclohex-3-ene-1-carbaldehyde

4-propan-2-ylcyclohex-3-ene-1-carbaldehyde (PubChem CID 15601950) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-propan-2-ylcyclohex-3-ene-1-carbaldehyde.

Molecular Properties

Compound Name4-propan-2-ylcyclohex-3-ene-1-carbaldehyde
PubChem CID15601950
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name4-propan-2-ylcyclohex-3-ene-1-carbaldehyde
SMILESCC(C)C1=CCC(C=O)CC1
InChIInChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyMGJVBPPEWVKZTN-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.57
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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Related Compounds

Citronellal
CID 7794
Perillaldehyde
CID 16441
6-Octenal, 3,7-dimethyl-, (3R)-
CID 75427
beta-HOMOCYCLOCITRAL
CID 61124
3-Cyclohexene-1-carboxaldehyde, 4-(4-methyl-3-penten-1-yl)-
CID 93199
alpha-Cyclocitral
CID 94143
Tetrahydro-pseudo-ionone
CID 102604
1-p-Menthen-9-al
CID 520440
Perillaldehyde, (-)-
CID 2724159
(S)-(-)-Citronellal
CID 443157
Vertonal
CID 101150
2,4-Dimethyl-3-cyclohexene carboxaldehyde
CID 93375

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylcyclohex-3-ene-1-carbaldehyde?
The IUPAC name of 4-propan-2-ylcyclohex-3-ene-1-carbaldehyde (CID 15601950) is 4-propan-2-ylcyclohex-3-ene-1-carbaldehyde.
What is the SMILES notation for 4-propan-2-ylcyclohex-3-ene-1-carbaldehyde?
The canonical SMILES for 4-propan-2-ylcyclohex-3-ene-1-carbaldehyde is CC(C)C1=CCC(C=O)CC1.
What is the InChIKey of 4-propan-2-ylcyclohex-3-ene-1-carbaldehyde?
The InChIKey is MGJVBPPEWVKZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 4-propan-2-ylcyclohex-3-ene-1-carbaldehyde?
4-propan-2-ylcyclohex-3-ene-1-carbaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylcyclohex-3-ene-1-carbaldehyde is sourced from PubChem (CID 15601950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).