3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol

C9H12O — CID 10351752

IUPAC3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol
SMILESCC(=C1C=CC=C1)C(C)O
InChIInChI=1S/C9H12O/c1-7(8(2)10)9-5-3-4-6-9/h3-6,8,10H,1-2H3
InChIKeyVLZIOXVUIMYKHS-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.81
Rot. Bonds1

About 3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol

3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol (PubChem CID 10351752) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol
PubChem CID10351752
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol
SMILESCC(=C1C=CC=C1)C(C)O
InChIInChI=1S/C9H12O/c1-7(8(2)10)9-5-3-4-6-9/h3-6,8,10H,1-2H3
InChIKeyVLZIOXVUIMYKHS-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol?
The IUPAC name of 3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol (CID 10351752) is 3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol is CC(=C1C=CC=C1)C(C)O.
What is the InChIKey of 3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol?
The InChIKey is VLZIOXVUIMYKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-7(8(2)10)9-5-3-4-6-9/h3-6,8,10H,1-2H3.
What are the key properties of 3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol?
3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol has a molecular weight of 136.19 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-2,4-dien-1-ylidenebutan-2-ol is sourced from PubChem (CID 10351752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).