(2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde

C10H16O — CID 171377867

IUPAC(2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde
SMILESCC1C/C(=C\C=O)C(C)(C)C1
InChIInChI=1S/C10H16O/c1-8-6-9(4-5-11)10(2,3)7-8/h4-5,8H,6-7H2,1-3H3/b9-4+
InChIKeyJPPMHBANFYTYQK-RUDMXATFSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds1

About (2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde

(2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde (PubChem CID 171377867) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde.

Molecular Properties

Compound Name(2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde
PubChem CID171377867
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde
SMILESCC1C/C(=C\C=O)C(C)(C)C1
InChIInChI=1S/C10H16O/c1-8-6-9(4-5-11)10(2,3)7-8/h4-5,8H,6-7H2,1-3H3/b9-4+
InChIKeyJPPMHBANFYTYQK-RUDMXATFSA-N
XLogP2.57
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 ≤ 52.57
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

1-(2,4,6,6-tetramethylcyclohexen-1-yl)but-2-en-1-one
CID 54401094
(E)-2-methyl-1-[(4S)-2,4,6,6-tetramethylcyclohexen-1-yl]but-2-en-1-one
CID 70588102
2-(3,3,5,5-tetramethylcyclohexylidene)acetaldehyde
CID 14567374
(1Z)-1,2,3,3,5,8,10,10-octamethylcyclodecene
CID 143700143
2-[(4Z)-4-[(E)-3-aminobut-2-enylidene]-3,3-dimethylcyclopentyl]-N-formylacetamide
CID 143201174
cis-(1R,2S)-1,2-dimethylcyclopropane-1-carbaldehyde
CID 12962870
(2E)-2-[(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]acetaldehyde
CID 11906033
2,2,4,6,6-pentamethylpiperidine-1-carbaldehyde
CID 21292195
3,7,7-trimethylbicyclo[4.1.0]heptane-1-carbaldehyde
CID 23344662
(4,6,6-trimethylcyclohexen-1-yl)methanol
CID 21263747
[(1S,4S)-2,2,4-trimethyl-6-oxocyclohexyl] acetate
CID 71394308
1,2,4,4,6-pentamethylcycloheptene
CID 91222128

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde?
The IUPAC name of (2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde (CID 171377867) is (2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde.
What is the SMILES notation for (2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde?
The canonical SMILES for (2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde is CC1C/C(=C\C=O)C(C)(C)C1.
What is the InChIKey of (2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde?
The InChIKey is JPPMHBANFYTYQK-RUDMXATFSA-N. The full InChI is InChI=1S/C10H16O/c1-8-6-9(4-5-11)10(2,3)7-8/h4-5,8H,6-7H2,1-3H3/b9-4+.
What are the key properties of (2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde?
(2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde has a molecular weight of 152.24 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2,2,4-trimethylcyclopentylidene)acetaldehyde is sourced from PubChem (CID 171377867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).