1,4-diethyl-2-methylcyclopenta-1,3-diene

C10H16 — CID 139667464

IUPAC1,4-diethyl-2-methylcyclopenta-1,3-diene
SMILESCCC1=CC(C)=C(CC)C1
InChIInChI=1S/C10H16/c1-4-9-6-8(3)10(5-2)7-9/h6H,4-5,7H2,1-3H3
InChIKeyUWHVWCONAHWXOA-UHFFFAOYSA-N
MW136.24 g/mol
LogP3.45
Rot. Bonds2

About 1,4-diethyl-2-methylcyclopenta-1,3-diene

1,4-diethyl-2-methylcyclopenta-1,3-diene (PubChem CID 139667464) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is 1,4-diethyl-2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,4-diethyl-2-methylcyclopenta-1,3-diene
PubChem CID139667464
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name1,4-diethyl-2-methylcyclopenta-1,3-diene
SMILESCCC1=CC(C)=C(CC)C1
InChIInChI=1S/C10H16/c1-4-9-6-8(3)10(5-2)7-9/h6H,4-5,7H2,1-3H3
InChIKeyUWHVWCONAHWXOA-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-diethyl-2-methylcyclopenta-1,3-diene 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

Terpinolene
CID 11463
Farnesene
CID 5281516
Germacrene B
CID 5281519
gamma-Bisabolene
CID 62346
gamma-BISABOLENE, (E)-
CID 5352437
(Z,E)-alpha-Farnesene
CID 5362889
(3E)-4,8-dimethyl-1,3,7-nonatriene
CID 6427110
4-Propyl-3-heptene
CID 138270
gamma-Bisabolene, (Z)-
CID 3033866
alpha-Ocimene
CID 5320249
(1Z,4Z)-germacrene B
CID 6370843
p-Mentha-1,3,8-triene
CID 176983

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-2-methylcyclopenta-1,3-diene?
The IUPAC name of 1,4-diethyl-2-methylcyclopenta-1,3-diene (CID 139667464) is 1,4-diethyl-2-methylcyclopenta-1,3-diene.
What is the SMILES notation for 1,4-diethyl-2-methylcyclopenta-1,3-diene?
The canonical SMILES for 1,4-diethyl-2-methylcyclopenta-1,3-diene is CCC1=CC(C)=C(CC)C1.
What is the InChIKey of 1,4-diethyl-2-methylcyclopenta-1,3-diene?
The InChIKey is UWHVWCONAHWXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16/c1-4-9-6-8(3)10(5-2)7-9/h6H,4-5,7H2,1-3H3.
What are the key properties of 1,4-diethyl-2-methylcyclopenta-1,3-diene?
1,4-diethyl-2-methylcyclopenta-1,3-diene has a molecular weight of 136.24 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 139667464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).