(E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol

C9H12O — CID 146026360

IUPAC(E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol
SMILESCCCC1=CC=C/C1=C\O
InChIInChI=1S/C9H12O/c1-2-4-8-5-3-6-9(8)7-10/h3,5-7,10H,2,4H2,1H3/b9-7+
InChIKeyCTLVUCRLABGBRY-VQHVLOKHSA-N
MW136.19 g/mol
LogP2.72
Rot. Bonds2

About (E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol

(E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol (PubChem CID 146026360) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is (E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Name(E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol
PubChem CID146026360
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name(E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol
SMILESCCCC1=CC=C/C1=C\O
InChIInChI=1S/C9H12O/c1-2-4-8-5-3-6-9(8)7-10/h3,5-7,10H,2,4H2,1H3/b9-7+
InChIKeyCTLVUCRLABGBRY-VQHVLOKHSA-N
XLogP2.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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 (E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol?
The IUPAC name of (E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol (CID 146026360) is (E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for (E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol?
The canonical SMILES for (E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol is CCCC1=CC=C/C1=C\O.
What is the InChIKey of (E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol?
The InChIKey is CTLVUCRLABGBRY-VQHVLOKHSA-N. The full InChI is InChI=1S/C9H12O/c1-2-4-8-5-3-6-9(8)7-10/h3,5-7,10H,2,4H2,1H3/b9-7+.
What are the key properties of (E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol?
(E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol has a molecular weight of 136.19 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 146026360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).