2,3,4-trimethyl-5-methylideneoct-1-ene

C12H22 — CID 91393907

IUPAC2,3,4-trimethyl-5-methylideneoct-1-ene
SMILESC=C(C)C(C)C(C)C(=C)CCC
InChIInChI=1S/C12H22/c1-7-8-10(4)12(6)11(5)9(2)3/h11-12H,2,4,7-8H2,1,3,5-6H3
InChIKeyPBXJQZXHSYTSEM-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.19
Rot. Bonds5

About 2,3,4-trimethyl-5-methylideneoct-1-ene

2,3,4-trimethyl-5-methylideneoct-1-ene (PubChem CID 91393907) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is 2,3,4-trimethyl-5-methylideneoct-1-ene.

Molecular Properties

Compound Name2,3,4-trimethyl-5-methylideneoct-1-ene
PubChem CID91393907
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name2,3,4-trimethyl-5-methylideneoct-1-ene
SMILESC=C(C)C(C)C(C)C(=C)CCC
InChIInChI=1S/C12H22/c1-7-8-10(4)12(6)11(5)9(2)3/h11-12H,2,4,7-8H2,1,3,5-6H3
InChIKeyPBXJQZXHSYTSEM-UHFFFAOYSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.19
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

2,3-dimethyl-4-methylideneheptane
CID 123725003
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
4-ethyl-2,3-dimethylhexa-1,5-diene
CID 54442334
1-(2,3-dimethylbut-3-enyl)-4-(2-methyl-3-methylidenehexyl)piperazine
CID 167073389
1-iodo-2-methylidenepentan-1-ol
CID 90371441
3-methylidene-2-(2-methylprop-1-enylsulfanyl)hexane
CID 138475249
4-methylidene-3-propan-2-ylhept-1-ene
CID 123221748
3,4,5-trimethylhex-5-en-2-one
CID 123545933
(4S)-N,2,3-trimethylhept-1-en-4-amine
CID 174109197
2,3,4-trimethyltetradec-1-ene
CID 123582556
1-ethyl-2-(3-methyl-4-methylideneheptan-2-yl)cyclohexane
CID 123395792
4-chloro-5-methylideneoctane
CID 56986746

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-5-methylideneoct-1-ene?
The IUPAC name of 2,3,4-trimethyl-5-methylideneoct-1-ene (CID 91393907) is 2,3,4-trimethyl-5-methylideneoct-1-ene.
What is the SMILES notation for 2,3,4-trimethyl-5-methylideneoct-1-ene?
The canonical SMILES for 2,3,4-trimethyl-5-methylideneoct-1-ene is C=C(C)C(C)C(C)C(=C)CCC.
What is the InChIKey of 2,3,4-trimethyl-5-methylideneoct-1-ene?
The InChIKey is PBXJQZXHSYTSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-7-8-10(4)12(6)11(5)9(2)3/h11-12H,2,4,7-8H2,1,3,5-6H3.
What are the key properties of 2,3,4-trimethyl-5-methylideneoct-1-ene?
2,3,4-trimethyl-5-methylideneoct-1-ene has a molecular weight of 166.31 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-5-methylideneoct-1-ene is sourced from PubChem (CID 91393907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).