(2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde

C11H14O2 — CID 58647266

IUPAC(2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde
SMILESCC1=C(/C=C\O)CCC/C1=C\C=O
InChIInChI=1S/C11H14O2/c1-9-10(5-7-12)3-2-4-11(9)6-8-13/h5-8,12H,2-4H2,1H3/b7-5-,11-6+
InChIKeyNQPLCLXWNGPXCD-LAVHUSFLSA-N
MW178.23 g/mol
LogP2.68
Rot. Bonds2

About (2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde

(2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde (PubChem CID 58647266) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde.

Molecular Properties

Compound Name(2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde
PubChem CID58647266
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name(2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde
SMILESCC1=C(/C=C\O)CCC/C1=C\C=O
InChIInChI=1S/C11H14O2/c1-9-10(5-7-12)3-2-4-11(9)6-8-13/h5-8,12H,2-4H2,1H3/b7-5-,11-6+
InChIKeyNQPLCLXWNGPXCD-LAVHUSFLSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-(hydroxymethylidene)-2-methylcyclohexene-1-carbaldehyde
CID 58606979
(1E)-N,N-dimethyl-1-[2-methyl-3-(2-methylprop-1-enyl)cyclohex-2-en-1-ylidene]methanamine
CID 130179379
(Z,4E)-4-(2,3-dimethylcyclohex-2-en-1-ylidene)-3-methylbut-2-enal
CID 10559589
2-methyl-3-[(Z)-prop-1-enyl]cyclohept-2-en-1-one
CID 143302043
1-ethenyl-3-ethylidene-2-methylcyclohexene;3-methoxy-2-methyl-4-methylidenecyclobut-2-en-1-one
CID 91335423
[5-[(E)-2-[(3E)-3-[(2E)-2-[1-(methoxysulfonylmethyl)pyrrolidin-2-ylidene]ethylidene]-2-methylcyclohexen-1-yl]ethenyl]-3,4-dihydro-2H-pyrrol-1-ium-1-yl]methanesulfonic acid
CID 58030734
(2E)-2-(2-trimethylsilyloxycyclohex-2-en-1-ylidene)acetaldehyde
CID 134947630
(2Z)-2-(7-bromo-3,4-dihydro-2H-naphthalen-1-ylidene)acetaldehyde
CID 121003853
6-[(2E)-2-[(2E)-2-[3-[(E)-2-[3,3-dimethyl-1-(6-oxoheptyl)indol-1-ium-2-yl]ethenyl]-2-methylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethylindol-1-yl]hexanoic acid
CID 142509212
5-[[3-[[3-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)methylidene]-2-methylcyclohexen-1-yl]methylidene]-2-methylcyclohexen-1-yl]methylidene]-1,3-diazinane-2,4,6-trione
CID 90958523
(2E,4E,6E,8E)-3,7-dimethyl-9-(2,3,3-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
CID 10517214
(3E)-2-chloro-1-[(E)-prop-1-enyl]-3-prop-2-enylidenecyclohexene
CID 21351129

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde?
The IUPAC name of (2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde (CID 58647266) is (2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde.
What is the SMILES notation for (2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde?
The canonical SMILES for (2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde is CC1=C(/C=C\O)CCC/C1=C\C=O.
What is the InChIKey of (2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde?
The InChIKey is NQPLCLXWNGPXCD-LAVHUSFLSA-N. The full InChI is InChI=1S/C11H14O2/c1-9-10(5-7-12)3-2-4-11(9)6-8-13/h5-8,12H,2-4H2,1H3/b7-5-,11-6+.
What are the key properties of (2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde?
(2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde has a molecular weight of 178.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[3-[(Z)-2-hydroxyethenyl]-2-methylcyclohex-2-en-1-ylidene]acetaldehyde is sourced from PubChem (CID 58647266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).