2,5,5-trimethyl-3-methylidenehex-1-ene

C10H18 — CID 545358

IUPAC2,5,5-trimethyl-3-methylidenehex-1-ene
SMILESC=C(C)C(=C)CC(C)(C)C
InChIInChI=1S/C10H18/c1-8(2)9(3)7-10(4,5)6/h1,3,7H2,2,4-6H3
InChIKeyGQFZKDDIOQTLGL-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.55
Rot. Bonds2

About 2,5,5-trimethyl-3-methylidenehex-1-ene

2,5,5-trimethyl-3-methylidenehex-1-ene (PubChem CID 545358) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2,5,5-trimethyl-3-methylidenehex-1-ene.

Molecular Properties

Compound Name2,5,5-trimethyl-3-methylidenehex-1-ene
PubChem CID545358
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2,5,5-trimethyl-3-methylidenehex-1-ene
SMILESC=C(C)C(=C)CC(C)(C)C
InChIInChI=1S/C10H18/c1-8(2)9(3)7-10(4,5)6/h1,3,7H2,2,4-6H3
InChIKeyGQFZKDDIOQTLGL-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4,4-Trimethyl-1-pentene
CID 7868
Heptane, 2,2,6,6-tetramethyl-4-methylene-
CID 67334
2,5-Dimethyl-1-hexene
CID 33451
2-Methyl-3-methylenehexane
CID 528377
2,4,4-Trimethyl-1-hexene
CID 142817
2,4,4,6,6-Pentamethyl-1-heptene
CID 84164
2,3,3-Trimethyl-1-pentene
CID 11216
2-Ethyl-4-methyl-1-pentene
CID 520670
1,3-Butadiene, 2,3-di(tert-butyl)-
CID 137912
1-Butene, 2-(1,1-dimethylethyl)-3,3-dimethyl-
CID 138613
1-Butene, 2-ethyl-3,3-dimethyl
CID 519529
2,2,4-Trimethyl-3-methylidenepentane
CID 13357747

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-3-methylidenehex-1-ene?
The IUPAC name of 2,5,5-trimethyl-3-methylidenehex-1-ene (CID 545358) is 2,5,5-trimethyl-3-methylidenehex-1-ene.
What is the SMILES notation for 2,5,5-trimethyl-3-methylidenehex-1-ene?
The canonical SMILES for 2,5,5-trimethyl-3-methylidenehex-1-ene is C=C(C)C(=C)CC(C)(C)C.
What is the InChIKey of 2,5,5-trimethyl-3-methylidenehex-1-ene?
The InChIKey is GQFZKDDIOQTLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8(2)9(3)7-10(4,5)6/h1,3,7H2,2,4-6H3.
What are the key properties of 2,5,5-trimethyl-3-methylidenehex-1-ene?
2,5,5-trimethyl-3-methylidenehex-1-ene has a molecular weight of 138.25 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-3-methylidenehex-1-ene is sourced from PubChem (CID 545358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).