3,6-dimethyl-4-methylideneoctane

C11H22 — CID 91141716

IUPAC3,6-dimethyl-4-methylideneoctane
SMILESC=C(CC(C)CC)C(C)CC
InChIInChI=1S/C11H22/c1-6-9(3)8-11(5)10(4)7-2/h9-10H,5-8H2,1-4H3
InChIKeyVMWJZHFHZWYFBJ-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.02
Rot. Bonds5

About 3,6-dimethyl-4-methylideneoctane

3,6-dimethyl-4-methylideneoctane (PubChem CID 91141716) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is 3,6-dimethyl-4-methylideneoctane.

Molecular Properties

Compound Name3,6-dimethyl-4-methylideneoctane
PubChem CID91141716
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Name3,6-dimethyl-4-methylideneoctane
SMILESC=C(CC(C)CC)C(C)CC
InChIInChI=1S/C11H22/c1-6-9(3)8-11(5)10(4)7-2/h9-10H,5-8H2,1-4H3
InChIKeyVMWJZHFHZWYFBJ-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.02
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-fluoro-5-methyl-3-methylideneheptane
CID 130181565
3,8-dimethyl-4-methylidenedecane
CID 177054037
2-chloro-4-methylhex-1-ene
CID 15153636
2,6-dimethyl-4-methylideneoctane
CID 12567282
(3R)-3-methylpent-1-en-2-ol
CID 89203555
4-methyl-3-methylidenehexanoic acid
CID 55301020
(5S)-5-methyl-3-methylidenehept-1-yne
CID 15744328
(2,5-dimethyl-3-methylideneheptan-2-yl)phosphane
CID 170214631
4-methyl-2-methylidenehexanamide
CID 87496757
3-ethyl-5-methylhept-2-ene
CID 90962982
2,3-dimethylpent-1-ene;ethane
CID 143286891
2,4-dimethyl-3-methylidenehexane
CID 90734956

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4-methylideneoctane?
The IUPAC name of 3,6-dimethyl-4-methylideneoctane (CID 91141716) is 3,6-dimethyl-4-methylideneoctane.
What is the SMILES notation for 3,6-dimethyl-4-methylideneoctane?
The canonical SMILES for 3,6-dimethyl-4-methylideneoctane is C=C(CC(C)CC)C(C)CC.
What is the InChIKey of 3,6-dimethyl-4-methylideneoctane?
The InChIKey is VMWJZHFHZWYFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22/c1-6-9(3)8-11(5)10(4)7-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 3,6-dimethyl-4-methylideneoctane?
3,6-dimethyl-4-methylideneoctane has a molecular weight of 154.30 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4-methylideneoctane is sourced from PubChem (CID 91141716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).