2,3,4,5,6-pentamethylhept-3-ene

C12H24 — CID 90954370

IUPAC2,3,4,5,6-pentamethylhept-3-ene
SMILESCC(=C(C)C(C)C(C)C)C(C)C
InChIInChI=1S/C12H24/c1-8(2)10(5)12(7)11(6)9(3)4/h8-10H,1-7H3
InChIKeyQDZSGMMUBYMJIH-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.27
Rot. Bonds3

About 2,3,4,5,6-pentamethylhept-3-ene

2,3,4,5,6-pentamethylhept-3-ene (PubChem CID 90954370) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethylhept-3-ene.

Molecular Properties

Compound Name2,3,4,5,6-pentamethylhept-3-ene
PubChem CID90954370
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2,3,4,5,6-pentamethylhept-3-ene
SMILESCC(=C(C)C(C)C(C)C)C(C)C
InChIInChI=1S/C12H24/c1-8(2)10(5)12(7)11(6)9(3)4/h8-10H,1-7H3
InChIKeyQDZSGMMUBYMJIH-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,3,4,5,6-pentamethylhept-3-ene 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

2,3,5-Trimethyl-2-hexene
CID 14713429
2,4-Dimethyl-3-isopropyl-2-pentene
CID 21721495
3-Hexene, 2,5-dimethyl-3,4-bis(1-methylethyl)-
CID 138917
2,3,6-Trimethyl-2-heptene
CID 12714409
2,3,4-Trimethylhex-2-ene
CID 17861707
2,3,4-Trimethylhept-2-ene
CID 22996828
3-Ethyl-2,4-dimethyl-2-pentene
CID 21719812
Cyclobutene, 1,2,3,4-tetramethyl-
CID 565395
4-Ethyl-2,3-dimethylhex-2-ene
CID 549716
(3S,4R)-1,2,3,4-tetramethylcyclobutene
CID 101281695
(3S,4S)-1,2,3,4-tetramethylcyclobutene
CID 101916527
1,2,3,3,4-Pentamethylcyclobutene
CID 54233969

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentamethylhept-3-ene?
The IUPAC name of 2,3,4,5,6-pentamethylhept-3-ene (CID 90954370) is 2,3,4,5,6-pentamethylhept-3-ene.
What is the SMILES notation for 2,3,4,5,6-pentamethylhept-3-ene?
The canonical SMILES for 2,3,4,5,6-pentamethylhept-3-ene is CC(=C(C)C(C)C(C)C)C(C)C.
What is the InChIKey of 2,3,4,5,6-pentamethylhept-3-ene?
The InChIKey is QDZSGMMUBYMJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-8(2)10(5)12(7)11(6)9(3)4/h8-10H,1-7H3.
What are the key properties of 2,3,4,5,6-pentamethylhept-3-ene?
2,3,4,5,6-pentamethylhept-3-ene has a molecular weight of 168.32 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethylhept-3-ene is sourced from PubChem (CID 90954370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).