2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol

C9H14O — CID 19936951

IUPAC2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol
SMILESCC1=C(C(C)(C)O)CC=C1
InChIInChI=1S/C9H14O/c1-7-5-4-6-8(7)9(2,3)10/h4-5,10H,6H2,1-3H3
InChIKeyQUNPNTDVRAUYKD-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.03
Rot. Bonds1

About 2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol

2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol (PubChem CID 19936951) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol
PubChem CID19936951
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol
SMILESCC1=C(C(C)(C)O)CC=C1
InChIInChI=1S/C9H14O/c1-7-5-4-6-8(7)9(2,3)10/h4-5,10H,6H2,1-3H3
InChIKeyQUNPNTDVRAUYKD-UHFFFAOYSA-N
XLogP2.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol;zirconium
CID 19936950
2-amino-2-[2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ylimino]acetic acid
CID 89077238
1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436
sodium;1,2-dimethylcyclopenta-1,3-diene;hydride
CID 173341560
2-methyl-1-propan-2-ylcyclopenta-1,3-diene
CID 18914846
1,4-bis(2-methylcyclopenta-1,3-dien-1-yl)benzene
CID 173322239
1-ethyl-2-methylcyclopenta-1,3-diene
CID 18355720
1-chloro-2-methylcyclopenta-1,3-diene;hydride;titanium(4+)
CID 174756791
9-[2-(2-methylcyclopenta-1,3-dien-1-yl)hex-5-en-2-yl]-9H-fluorene;zirconium(2+);dichloride
CID 22572576
azetidine;1,2-dimethylcyclopenta-1,3-diene
CID 174436418
1-tert-butyl-2,4-difluorocyclohepta-1,3,5-triene
CID 134172117
(2-tert-butylcyclopenta-1,4-dien-1-yl)benzene
CID 102207082

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol?
The IUPAC name of 2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol (CID 19936951) is 2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol.
What is the SMILES notation for 2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol?
The canonical SMILES for 2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol is CC1=C(C(C)(C)O)CC=C1.
What is the InChIKey of 2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol?
The InChIKey is QUNPNTDVRAUYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-7-5-4-6-8(7)9(2,3)10/h4-5,10H,6H2,1-3H3.
What are the key properties of 2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol?
2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol has a molecular weight of 138.21 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclopenta-1,3-dien-1-yl)propan-2-ol is sourced from PubChem (CID 19936951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).