(E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal

C11H16O2 — CID 10559282

IUPAC(E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal
SMILESCOC/C=C(/C=O)C1=CCCCC1
InChIInChI=1S/C11H16O2/c1-13-8-7-11(9-12)10-5-3-2-4-6-10/h5,7,9H,2-4,6,8H2,1H3/b11-7-
InChIKeyLGHYDCGMFOZJFX-XFFZJAGNSA-N
MW180.25 g/mol
LogP2.26
Rot. Bonds4

About (E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal

(E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal (PubChem CID 10559282) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal.

Molecular Properties

Compound Name(E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal
PubChem CID10559282
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal
SMILESCOC/C=C(/C=O)C1=CCCCC1
InChIInChI=1S/C11H16O2/c1-13-8-7-11(9-12)10-5-3-2-4-6-10/h5,7,9H,2-4,6,8H2,1H3/b11-7-
InChIKeyLGHYDCGMFOZJFX-XFFZJAGNSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylprop-1-enyl)cyclohexene-1-carbaldehyde
CID 13353337
4-[(3Z,7Z)-9-ethoxy-7,8-difluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-2-yl]-3-fluorocyclohexa-1,3-diene-1-carbaldehyde
CID 143772976
2-[(E)-hex-1-enyl]cyclohexene-1-carbaldehyde
CID 16125779
2-Butylideneoctanedial
CID 91392878
methyl (E)-3-(2-formylcyclohexen-1-yl)prop-2-enoate
CID 101345213
methyl (E)-3-(2-formylcyclohepten-1-yl)prop-2-enoate
CID 121001195
5-Nonanoyl-oxin
CID 129891267
methyl (Z,8E)-8-(2-formylcyclohex-2-en-1-ylidene)oct-2-enoate
CID 135036719
methyl (E,8E)-8-(2-formylcyclohex-2-en-1-ylidene)oct-2-enoate
CID 10038353
3-Butyl-4-ethoxycyclohexa-3,5-diene-1,2-dione
CID 17969358
3,6-Dibutyl-4-propoxycyclohexa-3,5-diene-1,2-dione
CID 17970483
3-Butyl-4-propoxycyclohexa-3,5-diene-1,2-dione
CID 17970706

Frequently Asked Questions

What is the IUPAC name of (E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal?
The IUPAC name of (E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal (CID 10559282) is (E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal.
What is the SMILES notation for (E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal?
The canonical SMILES for (E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal is COC/C=C(/C=O)C1=CCCCC1.
What is the InChIKey of (E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal?
The InChIKey is LGHYDCGMFOZJFX-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H16O2/c1-13-8-7-11(9-12)10-5-3-2-4-6-10/h5,7,9H,2-4,6,8H2,1H3/b11-7-.
What are the key properties of (E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal?
(E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal has a molecular weight of 180.25 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(cyclohexen-1-yl)-4-methoxybut-2-enal is sourced from PubChem (CID 10559282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).