(3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol

C8H12O2 — CID 135850289

IUPAC(3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol
SMILESCC1=C(C)CC(C(O)O)=C1
InChIInChI=1S/C8H12O2/c1-5-3-7(8(9)10)4-6(5)2/h3,8-10H,4H2,1-2H3
InChIKeyJWGFMTHGJZMYJW-UHFFFAOYSA-N
MW140.18 g/mol
LogP0.96
Rot. Bonds1

About (3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol

(3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol (PubChem CID 135850289) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is (3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol.

Molecular Properties

Compound Name(3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol
PubChem CID135850289
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name(3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol
SMILESCC1=C(C)CC(C(O)O)=C1
InChIInChI=1S/C8H12O2/c1-5-3-7(8(9)10)4-6(5)2/h3,8-10H,4H2,1-2H3
InChIKeyJWGFMTHGJZMYJW-UHFFFAOYSA-N
XLogP0.96
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3,4-dimethylcyclopenta-1,3-dien-1-yl)-trimethylsilane
CID 21188916
(6Z)-6-ethylidene-3,4-dimethylcyclohexa-1,3-dien-1-ol
CID 147503380
2-hydroxy-3-methylcyclobut-2-en-1-one
CID 58489247
5-hydroxy-2,4-dimethylcyclohexa-2,4-dien-1-one
CID 170237622
3-[(1S)-1-hydroxyethyl]cyclopent-2-en-1-one
CID 131160367
[1-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-2,2-dimethyl-1-phenylpropyl]benzene
CID 140630199
cyclohexen-1-ylmethanediol
CID 21392290
1-[2-(3,4-dimethylcyclopenta-1,3-dien-1-yl)-5-methoxyphenyl]ethanone
CID 68546835
3,5-dimethylcyclopenta-2,5-diene-1,2-diol
CID 58446340
4-[(2R,5S)-5-(3,4-dimethylcyclohexa-1,3-dien-1-yl)-3,4-diethylhexan-2-yl]-1,2-dimethylbenzene
CID 144843421
4-amino-3,5-dimethylcyclohexa-2,4-dien-1-one
CID 19890089
hydroxylamine;2-methylbicyclo[2.2.1]hepta-1,3,5-triene
CID 22460188

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol?
The IUPAC name of (3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol (CID 135850289) is (3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol.
What is the SMILES notation for (3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol?
The canonical SMILES for (3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol is CC1=C(C)CC(C(O)O)=C1.
What is the InChIKey of (3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol?
The InChIKey is JWGFMTHGJZMYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-5-3-7(8(9)10)4-6(5)2/h3,8-10H,4H2,1-2H3.
What are the key properties of (3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol?
(3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol has a molecular weight of 140.18 g/mol, XLogP of 0.96, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclopenta-1,3-dien-1-yl)methanediol is sourced from PubChem (CID 135850289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).