2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene

C14H18 — CID 161093530

IUPAC2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene
SMILESC/C=C/C1=C2C(C)=C(C)CC2=C(C)C1
InChIInChI=1S/C14H18/c1-5-6-12-7-10(3)13-8-9(2)11(4)14(12)13/h5-6H,7-8H2,1-4H3/b6-5+
InChIKeyYBOCHYFDWWVJKB-AATRIKPKSA-N
MW186.30 g/mol
LogP4.32
Rot. Bonds1

About 2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene

2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene (PubChem CID 161093530) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene.

Molecular Properties

Compound Name2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene
PubChem CID161093530
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene
SMILESC/C=C/C1=C2C(C)=C(C)CC2=C(C)C1
InChIInChI=1S/C14H18/c1-5-6-12-7-10(3)13-8-9(2)11(4)14(12)13/h5-6H,7-8H2,1-4H3/b6-5+
InChIKeyYBOCHYFDWWVJKB-AATRIKPKSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-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

Sylveterpinolene
CID 524200
(2Z)-3-Methyl-4-methylideneoct-2-ene
CID 121232770
1,3-Cyclopentadiene, 1-propyl
CID 528171
7-Ethyl-3,11-dimethyldodeca-1,3,6,10-tetraene
CID 14753114
3-Butyl-1-methylcyclopenta-1,3-diene
CID 11094679
Ruthenium(2+) bis(2-ethylcyclopenta-1,3-dien-1-ide)
CID 22138507
2-Butyl-1,3-cyclohexadiene
CID 13133171
1,2-Dihydropentalene
CID 141556
1,5-Dihydropentalene
CID 141770
1,1'-Bicyclopentene
CID 561932
Pentylcyclohexadiene
CID 20453786
CID 72738900
CID 72738900

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene?
The IUPAC name of 2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene (CID 161093530) is 2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene.
What is the SMILES notation for 2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene?
The canonical SMILES for 2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene is C/C=C/C1=C2C(C)=C(C)CC2=C(C)C1.
What is the InChIKey of 2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene?
The InChIKey is YBOCHYFDWWVJKB-AATRIKPKSA-N. The full InChI is InChI=1S/C14H18/c1-5-6-12-7-10(3)13-8-9(2)11(4)14(12)13/h5-6H,7-8H2,1-4H3/b6-5+.
What are the key properties of 2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene?
2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene has a molecular weight of 186.30 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-4-[(E)-prop-1-enyl]-1,5-dihydropentalene is sourced from PubChem (CID 161093530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).