2-methyl-3,4-dimethylideneoctane

C11H20 — CID 134835282

IUPAC2-methyl-3,4-dimethylideneoctane
SMILESC=C(CCCC)C(=C)C(C)C
InChIInChI=1S/C11H20/c1-6-7-8-10(4)11(5)9(2)3/h9H,4-8H2,1-3H3
InChIKeyRUJPCYVMLRBQLF-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.94
Rot. Bonds5

About 2-methyl-3,4-dimethylideneoctane

2-methyl-3,4-dimethylideneoctane (PubChem CID 134835282) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2-methyl-3,4-dimethylideneoctane.

Molecular Properties

Compound Name2-methyl-3,4-dimethylideneoctane
PubChem CID134835282
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2-methyl-3,4-dimethylideneoctane
SMILESC=C(CCCC)C(=C)C(C)C
InChIInChI=1S/C11H20/c1-6-7-8-10(4)11(5)9(2)3/h9H,4-8H2,1-3H3
InChIKeyRUJPCYVMLRBQLF-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.94
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-methyl-5-methylidenenonan-4-one
CID 71483400
4-methyl-5-methylidenenonane
CID 123995801
3,4-dimethylideneoctan-2-one
CID 143941758
9-methyl-6-methylidenedecan-5-one
CID 139998322
N-(7-methyl-5,6-dimethylideneoct-1-en-2-yl)hydroxylamine
CID 135271646
2-methylidenebutanoic acid;2-methylidenehexanoic acid
CID 87730844
2-methylidenehexanoic acid;zinc
CID 174824467
2,3,4,5,6,7,8,9,10,11-decamethylideneoctadecane-1,1-diol
CID 19752128
(Z)-3-methyl-4-methylideneoct-2-ene
CID 121232770
2-methylidenehexanoylazanide;terbium
CID 175783049
ethane;2-methylidenehexanoic acid
CID 162072915
2-methylidene-N-sulfonylhexanamide
CID 88843016

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4-dimethylideneoctane?
The IUPAC name of 2-methyl-3,4-dimethylideneoctane (CID 134835282) is 2-methyl-3,4-dimethylideneoctane.
What is the SMILES notation for 2-methyl-3,4-dimethylideneoctane?
The canonical SMILES for 2-methyl-3,4-dimethylideneoctane is C=C(CCCC)C(=C)C(C)C.
What is the InChIKey of 2-methyl-3,4-dimethylideneoctane?
The InChIKey is RUJPCYVMLRBQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-6-7-8-10(4)11(5)9(2)3/h9H,4-8H2,1-3H3.
What are the key properties of 2-methyl-3,4-dimethylideneoctane?
2-methyl-3,4-dimethylideneoctane has a molecular weight of 152.28 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4-dimethylideneoctane is sourced from PubChem (CID 134835282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).