2,5-dimethyl-1,4-dihydropentalene

C10H12 — CID 149449471

IUPAC2,5-dimethyl-1,4-dihydropentalene
SMILESCC1=CC2=C(C=C(C)C2)C1
InChIInChI=1S/C10H12/c1-7-3-9-5-8(2)6-10(9)4-7/h3,6H,4-5H2,1-2H3
InChIKeyYXINUWDKAZQFMJ-UHFFFAOYSA-N
MW132.21 g/mol
LogP2.98
Rot. Bonds

About 2,5-dimethyl-1,4-dihydropentalene

2,5-dimethyl-1,4-dihydropentalene (PubChem CID 149449471) has the molecular formula C10H12 and a molecular weight of 132.21 g/mol. Its IUPAC name is 2,5-dimethyl-1,4-dihydropentalene.

Molecular Properties

Compound Name2,5-dimethyl-1,4-dihydropentalene
PubChem CID149449471
Molecular FormulaC10H12
Molecular Weight132.21 g/mol
Exact Mass132.09
IUPAC Name2,5-dimethyl-1,4-dihydropentalene
SMILESCC1=CC2=C(C=C(C)C2)C1
InChIInChI=1S/C10H12/c1-7-3-9-5-8(2)6-10(9)4-7/h3,6H,4-5H2,1-2H3
InChIKeyYXINUWDKAZQFMJ-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,5-dimethyl-1,4-dihydropentalene 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

5-methyl-4,7-dihydro-3H-cyclopenta[a]pentalene
CID 157152475
(2,4-dimethylcyclopenta-1,3-dien-1-yl)silane
CID 154163824
2-fluoro-1,4-dimethylcyclopenta-1,3-diene
CID 142132624
2,6-dimethyl-1,7-dihydro-s-indacene
CID 12975727
(2,4-dimethylcyclopenta-1,4-dien-1-yl)silane;titanium(2+);dichloride
CID 175042013
2,4,6-trimethyl-1,5-dihydrocyclopropa[f]indene
CID 59090525
ethane;2-methyl-1H-indene
CID 54388135
4,6-dimethyl-3H-pyridin-2-one
CID 58991507
dilithium;hydride;2-methyl-1H-indene
CID 174389256
ethane;6-methyl-2,3,4,5-tetrahydro-1H-indene
CID 144672111
2-methyl-1H-indene;titanium(3+);trichloride
CID 157408587
(2,4-dimethylcyclopenta-1,3-dien-1-yl)-dimethoxysilane
CID 174274467

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,4-dihydropentalene?
The IUPAC name of 2,5-dimethyl-1,4-dihydropentalene (CID 149449471) is 2,5-dimethyl-1,4-dihydropentalene.
What is the SMILES notation for 2,5-dimethyl-1,4-dihydropentalene?
The canonical SMILES for 2,5-dimethyl-1,4-dihydropentalene is CC1=CC2=C(C=C(C)C2)C1.
What is the InChIKey of 2,5-dimethyl-1,4-dihydropentalene?
The InChIKey is YXINUWDKAZQFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12/c1-7-3-9-5-8(2)6-10(9)4-7/h3,6H,4-5H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,4-dihydropentalene?
2,5-dimethyl-1,4-dihydropentalene has a molecular weight of 132.21 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,4-dihydropentalene is sourced from PubChem (CID 149449471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).