(2-methylcyclopenta-2,4-dien-1-ylidene)methanol

C7H8O — CID 131740907

IUPAC(2-methylcyclopenta-2,4-dien-1-ylidene)methanol
SMILESCC1=CC=CC1=CO
InChIInChI=1S/C7H8O/c1-6-3-2-4-7(6)5-8/h2-5,8H,1H3
InChIKeyUBRQVSDZEXMCTQ-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.94
Rot. Bonds

About (2-methylcyclopenta-2,4-dien-1-ylidene)methanol

(2-methylcyclopenta-2,4-dien-1-ylidene)methanol (PubChem CID 131740907) has the molecular formula C7H8O and a molecular weight of 108.14 g/mol. Its IUPAC name is (2-methylcyclopenta-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Name(2-methylcyclopenta-2,4-dien-1-ylidene)methanol
PubChem CID131740907
Molecular FormulaC7H8O
Molecular Weight108.14 g/mol
Exact Mass108.06
IUPAC Name(2-methylcyclopenta-2,4-dien-1-ylidene)methanol
SMILESCC1=CC=CC1=CO
InChIInChI=1S/C7H8O/c1-6-3-2-4-7(6)5-8/h2-5,8H,1H3
InChIKeyUBRQVSDZEXMCTQ-UHFFFAOYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.94
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 (2-methylcyclopenta-2,4-dien-1-ylidene)methanol?
The IUPAC name of (2-methylcyclopenta-2,4-dien-1-ylidene)methanol (CID 131740907) is (2-methylcyclopenta-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for (2-methylcyclopenta-2,4-dien-1-ylidene)methanol?
The canonical SMILES for (2-methylcyclopenta-2,4-dien-1-ylidene)methanol is CC1=CC=CC1=CO.
What is the InChIKey of (2-methylcyclopenta-2,4-dien-1-ylidene)methanol?
The InChIKey is UBRQVSDZEXMCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O/c1-6-3-2-4-7(6)5-8/h2-5,8H,1H3.
What are the key properties of (2-methylcyclopenta-2,4-dien-1-ylidene)methanol?
(2-methylcyclopenta-2,4-dien-1-ylidene)methanol has a molecular weight of 108.14 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopenta-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 131740907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).