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

C8H12O — CID 11986869

IUPAC3-cyclopenta-2,4-dien-1-ylpropan-1-ol
SMILESOCCCC1C=CC=C1
InChIInChI=1S/C8H12O/c9-7-3-6-8-4-1-2-5-8/h1-2,4-5,8-9H,3,6-7H2
InChIKeyKBYVOEKNUNNHPX-UHFFFAOYSA-N
MW124.18 g/mol
LogP1.50
Rot. Bonds3

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

3-cyclopenta-2,4-dien-1-ylpropan-1-ol (PubChem CID 11986869) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is 3-cyclopenta-2,4-dien-1-ylpropan-1-ol.

Molecular Properties

Compound Name3-cyclopenta-2,4-dien-1-ylpropan-1-ol
PubChem CID11986869
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name3-cyclopenta-2,4-dien-1-ylpropan-1-ol
SMILESOCCCC1C=CC=C1
InChIInChI=1S/C8H12O/c9-7-3-6-8-4-1-2-5-8/h1-2,4-5,8-9H,3,6-7H2
InChIKeyKBYVOEKNUNNHPX-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.50
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-ylpropan-1-ol?
The IUPAC name of 3-cyclopenta-2,4-dien-1-ylpropan-1-ol (CID 11986869) is 3-cyclopenta-2,4-dien-1-ylpropan-1-ol.
What is the SMILES notation for 3-cyclopenta-2,4-dien-1-ylpropan-1-ol?
The canonical SMILES for 3-cyclopenta-2,4-dien-1-ylpropan-1-ol is OCCCC1C=CC=C1.
What is the InChIKey of 3-cyclopenta-2,4-dien-1-ylpropan-1-ol?
The InChIKey is KBYVOEKNUNNHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O/c9-7-3-6-8-4-1-2-5-8/h1-2,4-5,8-9H,3,6-7H2.
What are the key properties of 3-cyclopenta-2,4-dien-1-ylpropan-1-ol?
3-cyclopenta-2,4-dien-1-ylpropan-1-ol has a molecular weight of 124.18 g/mol, XLogP of 1.50, 3 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-ylpropan-1-ol is sourced from PubChem (CID 11986869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).