acetic acid;cyclohexene-1-carbaldehyde

C9H14O3 — CID 175385909

IUPACacetic acid;cyclohexene-1-carbaldehyde
SMILESCC(=O)O.O=CC1=CCCCC1
InChIInChI=1S/C7H10O.C2H4O2/c8-6-7-4-2-1-3-5-7;1-2(3)4/h4,6H,1-3,5H2;1H3,(H,3,4)
InChIKeyFJASWGYPMQFWMN-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.78
Rot. Bonds1

About acetic acid;cyclohexene-1-carbaldehyde

acetic acid;cyclohexene-1-carbaldehyde (PubChem CID 175385909) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is acetic acid;cyclohexene-1-carbaldehyde.

Molecular Properties

Compound Nameacetic acid;cyclohexene-1-carbaldehyde
PubChem CID175385909
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameacetic acid;cyclohexene-1-carbaldehyde
SMILESCC(=O)O.O=CC1=CCCCC1
InChIInChI=1S/C7H10O.C2H4O2/c8-6-7-4-2-1-3-5-7;1-2(3)4/h4,6H,1-3,5H2;1H3,(H,3,4)
InChIKeyFJASWGYPMQFWMN-UHFFFAOYSA-N
XLogP1.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-cyclononene-1-carbaldehyde
CID 22647283
(1Z,4Z)-1,5-di(cyclohexen-1-yl)-2,4-dimethylpenta-1,4-dien-3-one
CID 70617483
3-[(1E)-cycloocten-1-yl]prop-2-enoic acid
CID 70063613
7-oxocyclooctene-1-carbaldehyde
CID 173284056
methyl 3-(cyclohexen-1-yl)-2-methylprop-2-enoate
CID 57076411
(Z)-6-(cyclohexen-1-yl)hex-5-en-2-one
CID 15311444
2-chloro-6-methylidenecyclohex-2-en-1-ol;cyclohexene-1-carbaldehyde
CID 174930144
acetic acid;cyclohexene
CID 20501047
methyl 3-(cyclohexen-1-yl)prop-2-enoate
CID 53425583
1-[(Z)-prop-1-enyl]cycloheptene
CID 135080303
1-ethenylcyclooctene
CID 54012738
cycloundeca-1,3-diene-1-carbaldehyde
CID 91339803

Frequently Asked Questions

What is the IUPAC name of acetic acid;cyclohexene-1-carbaldehyde?
The IUPAC name of acetic acid;cyclohexene-1-carbaldehyde (CID 175385909) is acetic acid;cyclohexene-1-carbaldehyde.
What is the SMILES notation for acetic acid;cyclohexene-1-carbaldehyde?
The canonical SMILES for acetic acid;cyclohexene-1-carbaldehyde is CC(=O)O.O=CC1=CCCCC1.
What is the InChIKey of acetic acid;cyclohexene-1-carbaldehyde?
The InChIKey is FJASWGYPMQFWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.C2H4O2/c8-6-7-4-2-1-3-5-7;1-2(3)4/h4,6H,1-3,5H2;1H3,(H,3,4).
What are the key properties of acetic acid;cyclohexene-1-carbaldehyde?
acetic acid;cyclohexene-1-carbaldehyde has a molecular weight of 170.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;cyclohexene-1-carbaldehyde is sourced from PubChem (CID 175385909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).