2,4,6-trimethyl-3-methylideneheptane

C11H22 — CID 58174809

IUPAC2,4,6-trimethyl-3-methylideneheptane
SMILESC=C(C(C)C)C(C)CC(C)C
InChIInChI=1S/C11H22/c1-8(2)7-10(5)11(6)9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyWGKSGZVMVRVHIT-UHFFFAOYSA-N
MW154.30 g/mol
LogP3.88
Rot. Bonds4

About 2,4,6-trimethyl-3-methylideneheptane

2,4,6-trimethyl-3-methylideneheptane (PubChem CID 58174809) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-methylideneheptane.

Molecular Properties

Compound Name2,4,6-trimethyl-3-methylideneheptane
PubChem CID58174809
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name2,4,6-trimethyl-3-methylideneheptane
SMILESC=C(C(C)C)C(C)CC(C)C
InChIInChI=1S/C11H22/c1-8(2)7-10(5)11(6)9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyWGKSGZVMVRVHIT-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethyl-1-heptene
CID 123385
3,7-Dimethyloct-1-ene
CID 21085
Heptane, 2,2,6,6-tetramethyl-4-methylene-
CID 67334
Cyclohexane, 1-methylene-4-(1-methylethenyl)-
CID 68140
2,5-Dimethyl-1-hexene
CID 33451
1-Heptene, 2,6-dimethyl-
CID 76492
2,4-Dimethyl-1-hexene
CID 519301
1-Methyl-4-methylidenecyclohexane
CID 520363
8-Methyldec-1-ene
CID 521957
2,6-Dimethyl 1,7-octadiene
CID 522313
2-Methyl-3-methylenehexane
CID 528377
(+-)-N,N-Dimethyl menthyl succinamide
CID 544714

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-methylideneheptane?
The IUPAC name of 2,4,6-trimethyl-3-methylideneheptane (CID 58174809) is 2,4,6-trimethyl-3-methylideneheptane.
What is the SMILES notation for 2,4,6-trimethyl-3-methylideneheptane?
The canonical SMILES for 2,4,6-trimethyl-3-methylideneheptane is C=C(C(C)C)C(C)CC(C)C.
What is the InChIKey of 2,4,6-trimethyl-3-methylideneheptane?
The InChIKey is WGKSGZVMVRVHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-8(2)7-10(5)11(6)9(3)4/h8-10H,6-7H2,1-5H3.
What are the key properties of 2,4,6-trimethyl-3-methylideneheptane?
2,4,6-trimethyl-3-methylideneheptane has a molecular weight of 154.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-methylideneheptane is sourced from PubChem (CID 58174809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).