3,8-dimethyl-4-methylidenedecane

C13H26 — CID 177054037

IUPAC3,8-dimethyl-4-methylidenedecane
SMILESC=C(CCCC(C)CC)C(C)CC
InChIInChI=1S/C13H26/c1-6-11(3)9-8-10-13(5)12(4)7-2/h11-12H,5-10H2,1-4H3
InChIKeyJZWTZIBSNBSKCF-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds7

About 3,8-dimethyl-4-methylidenedecane

3,8-dimethyl-4-methylidenedecane (PubChem CID 177054037) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 3,8-dimethyl-4-methylidenedecane.

Molecular Properties

Compound Name3,8-dimethyl-4-methylidenedecane
PubChem CID177054037
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name3,8-dimethyl-4-methylidenedecane
SMILESC=C(CCCC(C)CC)C(C)CC
InChIInChI=1S/C13H26/c1-6-11(3)9-8-10-13(5)12(4)7-2/h11-12H,5-10H2,1-4H3
InChIKeyJZWTZIBSNBSKCF-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.81
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

8-ethyl-3-methyl-4-methylideneundecane
CID 123341764
2,18-dimethyl-3-methylideneicosane
CID 123398512
6-methyl-5-methylideneoctanal
CID 172617044
2,7-dimethylnon-1-ene
CID 123682074
3,6-dimethyl-4-methylideneoctane
CID 91141716
6-methyl-2-methylideneoctanoic acid
CID 54361308
10-methyl-9-methylidenedodecan-3-one
CID 123893300
(3R,7R)-3,7-dimethylnonane
CID 42626759
4-methyl-5-methylidenenonane
CID 123995801
3,7-dimethylnona-1,2-diene
CID 123384763
(3S,5S)-5,9-dimethyldec-9-en-3-ol
CID 92860070
6,10-dimethyldodecan-2-one
CID 14707953

Frequently Asked Questions

What is the IUPAC name of 3,8-dimethyl-4-methylidenedecane?
The IUPAC name of 3,8-dimethyl-4-methylidenedecane (CID 177054037) is 3,8-dimethyl-4-methylidenedecane.
What is the SMILES notation for 3,8-dimethyl-4-methylidenedecane?
The canonical SMILES for 3,8-dimethyl-4-methylidenedecane is C=C(CCCC(C)CC)C(C)CC.
What is the InChIKey of 3,8-dimethyl-4-methylidenedecane?
The InChIKey is JZWTZIBSNBSKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-6-11(3)9-8-10-13(5)12(4)7-2/h11-12H,5-10H2,1-4H3.
What are the key properties of 3,8-dimethyl-4-methylidenedecane?
3,8-dimethyl-4-methylidenedecane has a molecular weight of 182.35 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethyl-4-methylidenedecane is sourced from PubChem (CID 177054037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).