(1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde

C10H16O — CID 173500000

IUPAC(1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde
SMILESC/C=C\C1CCCC[C@@H]1C=O
InChIInChI=1S/C10H16O/c1-2-5-9-6-3-4-7-10(9)8-11/h2,5,8-10H,3-4,6-7H2,1H3/b5-2-/t9?,10-/m1/s1
InChIKeyJVOLAJKFKZOWPI-KFEJUBODSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds2

About (1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde

(1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde (PubChem CID 173500000) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name(1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde
PubChem CID173500000
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde
SMILESC/C=C\C1CCCC[C@@H]1C=O
InChIInChI=1S/C10H16O/c1-2-5-9-6-3-4-7-10(9)8-11/h2,5,8-10H,3-4,6-7H2,1H3/b5-2-/t9?,10-/m1/s1
InChIKeyJVOLAJKFKZOWPI-KFEJUBODSA-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'}

Analyze (1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1S,2R)-cyclobutane-1,2-dicarbaldehyde
CID 59901887
1-ethyl-2-[(Z)-prop-1-enyl]cyclohexane
CID 59840791
methoxymethane;(2S)-2-methylcyclohexane-1-carbaldehyde
CID 142164429
1-(iodomethyl)-2-[(E)-prop-1-enyl]cyclohexane
CID 144577798
2-(methylamino)cyclohexane-1-carbaldehyde
CID 22969368
cis-(1S,2S)-2-aminocyclohexane-1-carbaldehyde
CID 102087752
trans-(1S,2S)-1,2-bis[(E)-prop-1-enyl]cyclopropane
CID 134897688
prop-1-enylcyclododecane
CID 139760926
cis-(1R,2R)-2-prop-1-en-2-ylcyclohexane-1-carbaldehyde
CID 102109585
(E)-3-[(1R,2R)-2-[(E)-3-amino-3-oxoprop-1-enyl]cyclohexyl]prop-2-enamide
CID 102590140
1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene-5-carbaldehyde
CID 89125684
trans-(1S,2R)-2-(dimethylamino)cyclopentane-1-carbaldehyde
CID 59356674

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde?
The IUPAC name of (1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde (CID 173500000) is (1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for (1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for (1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde is C/C=C\C1CCCC[C@@H]1C=O.
What is the InChIKey of (1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde?
The InChIKey is JVOLAJKFKZOWPI-KFEJUBODSA-N. The full InChI is InChI=1S/C10H16O/c1-2-5-9-6-3-4-7-10(9)8-11/h2,5,8-10H,3-4,6-7H2,1H3/b5-2-/t9?,10-/m1/s1.
What are the key properties of (1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde?
(1S)-2-[(Z)-prop-1-enyl]cyclohexane-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 (1S)-2-[(Z)-prop-1-enyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 173500000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).