(1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol

C9H12O — CID 13155382

IUPAC(1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol
SMILESCCC1=CC=C/C1=C(/C)O
InChIInChI=1S/C9H12O/c1-3-8-5-4-6-9(8)7(2)10/h4-6,10H,3H2,1-2H3/b9-7+
InChIKeyDNHRFDNEBIPIAX-VQHVLOKHSA-N
MW136.19 g/mol
LogP2.72
Rot. Bonds1

About (1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol

(1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol (PubChem CID 13155382) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol.

Molecular Properties

Compound Name(1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol
PubChem CID13155382
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol
SMILESCCC1=CC=C/C1=C(/C)O
InChIInChI=1S/C9H12O/c1-3-8-5-4-6-9(8)7(2)10/h4-6,10H,3H2,1-2H3/b9-7+
InChIKeyDNHRFDNEBIPIAX-VQHVLOKHSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol?
The IUPAC name of (1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol (CID 13155382) is (1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol.
What is the SMILES notation for (1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol?
The canonical SMILES for (1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol is CCC1=CC=C/C1=C(/C)O.
What is the InChIKey of (1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol?
The InChIKey is DNHRFDNEBIPIAX-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H12O/c1-3-8-5-4-6-9(8)7(2)10/h4-6,10H,3H2,1-2H3/b9-7+.
What are the key properties of (1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol?
(1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol has a molecular weight of 136.19 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(2-ethylcyclopenta-2,4-dien-1-ylidene)ethanol is sourced from PubChem (CID 13155382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).