(2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde

C10H16O — CID 5370094

IUPAC(2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde
SMILESCC1(C)CCC/C(=C/C=O)C1
InChIInChI=1S/C10H16O/c1-10(2)6-3-4-9(8-10)5-7-11/h5,7H,3-4,6,8H2,1-2H3/b9-5-
InChIKeyTYHKWUGMKWVPDI-UITAMQMPSA-N
MW152.24 g/mol
LogP2.71
Rot. Bonds1

About (2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde

(2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde (PubChem CID 5370094) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde.

Molecular Properties

Compound Name(2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde
PubChem CID5370094
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde
SMILESCC1(C)CCC/C(=C/C=O)C1
InChIInChI=1S/C10H16O/c1-10(2)6-3-4-9(8-10)5-7-11/h5,7H,3-4,6,8H2,1-2H3/b9-5-
InChIKeyTYHKWUGMKWVPDI-UITAMQMPSA-N
XLogP2.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Retinal
CID 638015
9-Cis-Retinal
CID 6436082
13-cis-Retinal
CID 6436079
11-Cis-Retinal
CID 5280490
2-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2-butenal
CID 102375
beta-Apo-14'-carotenal
CID 5280992
3-(2,6,6-Trimethyl-1-cyclohexen-1-yl)acrylaldehyde
CID 5352142
a Retinal
CID 1070
Boronal
CID 5369997
10,20-Methanoretinal
CID 6438558
5-(2,2-Dimethylcyclopropyl)-3-methyl-2-pentenal
CID 73047398
(2E,4Z,6E)-5-methyl-7-(2,6,6-trimethylcyclohex-1-en-1-yl)hepta-2,4,6-trienal
CID 10610326

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde?
The IUPAC name of (2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde (CID 5370094) is (2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde.
What is the SMILES notation for (2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde?
The canonical SMILES for (2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde is CC1(C)CCC/C(=C/C=O)C1.
What is the InChIKey of (2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde?
The InChIKey is TYHKWUGMKWVPDI-UITAMQMPSA-N. The full InChI is InChI=1S/C10H16O/c1-10(2)6-3-4-9(8-10)5-7-11/h5,7H,3-4,6,8H2,1-2H3/b9-5-.
What are the key properties of (2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde?
(2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3,3-dimethylcyclohexylidene)acetaldehyde is sourced from PubChem (CID 5370094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).