cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol

C12H16O2 — CID 22447054

IUPACcyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol
SMILESC1=CCC=C1.OCC1=C(CO)CC=C1
InChIInChI=1S/C7H10O2.C5H6/c8-4-6-2-1-3-7(6)5-9;1-2-4-5-3-1/h1-2,8-9H,3-5H2;1-4H,5H2
InChIKeyYZPIBOGKXMEFOJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.73
Rot. Bonds2

About cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol

cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol (PubChem CID 22447054) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol.

Molecular Properties

Compound Namecyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol
PubChem CID22447054
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Namecyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol
SMILESC1=CCC=C1.OCC1=C(CO)CC=C1
InChIInChI=1S/C7H10O2.C5H6/c8-4-6-2-1-3-7(6)5-9;1-2-4-5-3-1/h1-2,8-9H,3-5H2;1-4H,5H2
InChIKeyYZPIBOGKXMEFOJ-UHFFFAOYSA-N
XLogP1.73
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol 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

Ferrocenyl methanol
CID 10856885
Cyclopentylmethanol;iron
CID 16212382
Aspergone L
CID 156581219
Aspergone M
CID 156581220
(3Z,7E)-4,9-dimethyldeca-3,7,9-triene-1,6-diol
CID 14805459
Iranginin E
CID 170988629
CID 11053412
CID 11053412
Hydroxymethylferrocen
CID 2777811
Cyclopenta-1,3-dien-1-ylmethanol
CID 2777812
CID 56974932
CID 56974932
[4-Fluoro-4-(hydroxymethyl)cyclohexa-1,5-dien-1-yl]methanol
CID 150724810
Cyclohepta-1,3,5-trien-1-ylmethanol
CID 14974868

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol?
The IUPAC name of cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol (CID 22447054) is cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol.
What is the SMILES notation for cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol?
The canonical SMILES for cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol is C1=CCC=C1.OCC1=C(CO)CC=C1.
What is the InChIKey of cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol?
The InChIKey is YZPIBOGKXMEFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.C5H6/c8-4-6-2-1-3-7(6)5-9;1-2-4-5-3-1/h1-2,8-9H,3-5H2;1-4H,5H2.
What are the key properties of cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol?
cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol has a molecular weight of 192.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;[2-(hydroxymethyl)cyclopenta-1,3-dien-1-yl]methanol is sourced from PubChem (CID 22447054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).