5-methoxycyclohexene-1-carbaldehyde

C8H12O2 — CID 45083393

IUPAC5-methoxycyclohexene-1-carbaldehyde
SMILESCOC1CCC=C(C=O)C1
InChIInChI=1S/C8H12O2/c1-10-8-4-2-3-7(5-8)6-9/h3,6,8H,2,4-5H2,1H3
InChIKeyALEHPIGWDMDXLH-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds2

About 5-methoxycyclohexene-1-carbaldehyde

5-methoxycyclohexene-1-carbaldehyde (PubChem CID 45083393) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 5-methoxycyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name5-methoxycyclohexene-1-carbaldehyde
PubChem CID45083393
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name5-methoxycyclohexene-1-carbaldehyde
SMILESCOC1CCC=C(C=O)C1
InChIInChI=1S/C8H12O2/c1-10-8-4-2-3-7(5-8)6-9/h3,6,8H,2,4-5H2,1H3
InChIKeyALEHPIGWDMDXLH-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Oxo-4-isopropylidene-1-cyclohexene-1-carbaldehyde
CID 15934363
5-Methyl-2-(2-methylprop-2-enyl)-2,3-dihydrofuran-4-carbaldehyde
CID 130025735
4,4-Dimethoxycyclohexene-1-carbaldehyde
CID 12782331
4-Isopropylidene-cyclohex-1-ene carbaldehyde
CID 85790894
4-Butoxycyclohexene-1-carbaldehyde
CID 88913206
5-Methoxy-4-methylcyclohexene-1-carbaldehyde
CID 89143760
4-(4-Acetylcyclohex-3-en-1-yl)oxybutanal
CID 90136730
2-(2-Oxopropylidene)heptanedial
CID 91158014
5-(Cyclohexen-1-yloxy)cyclohexene-1-carbaldehyde
CID 123443959
(Z)-2-(2-methoxypropyl)non-2-enal
CID 129308811
(2Z)-2-(cyclohexylmethylidene)-4-methoxypentanal
CID 134224517
(Z)-2-(2-methoxypropyl)dec-2-enal
CID 134333712

Frequently Asked Questions

What is the IUPAC name of 5-methoxycyclohexene-1-carbaldehyde?
The IUPAC name of 5-methoxycyclohexene-1-carbaldehyde (CID 45083393) is 5-methoxycyclohexene-1-carbaldehyde.
What is the SMILES notation for 5-methoxycyclohexene-1-carbaldehyde?
The canonical SMILES for 5-methoxycyclohexene-1-carbaldehyde is COC1CCC=C(C=O)C1.
What is the InChIKey of 5-methoxycyclohexene-1-carbaldehyde?
The InChIKey is ALEHPIGWDMDXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-10-8-4-2-3-7(5-8)6-9/h3,6,8H,2,4-5H2,1H3.
What are the key properties of 5-methoxycyclohexene-1-carbaldehyde?
5-methoxycyclohexene-1-carbaldehyde has a molecular weight of 140.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycyclohexene-1-carbaldehyde is sourced from PubChem (CID 45083393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).