2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene

C13H20 — CID 123885670

IUPAC2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene
SMILESC=C1CCC(=C)C2CC(C)CCC12
InChIInChI=1S/C13H20/c1-9-4-7-12-10(2)5-6-11(3)13(12)8-9/h9,12-13H,2-8H2,1H3
InChIKeyZWCJDVJXTAQSHL-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.94
Rot. Bonds

About 2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene

2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene (PubChem CID 123885670) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene.

Molecular Properties

Compound Name2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene
PubChem CID123885670
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene
SMILESC=C1CCC(=C)C2CC(C)CCC12
InChIInChI=1S/C13H20/c1-9-4-7-12-10(2)5-6-11(3)13(12)8-9/h9,12-13H,2-8H2,1H3
InChIKeyZWCJDVJXTAQSHL-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.94
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

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(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
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(1R,1aR,4aS,6R,7aR,7bS)-1,6-dimethyl-4-methylidene-1-propyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
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acetylene;1,4-dimethylcyclohexane;1,3-dimethylcyclopentane;ethene
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(1R)-3-methylcyclopentan-1-amine
CID 58346799
(3R,3aS,5S,8aR)-3-methyl-8-methylidene-5-prop-1-en-2-yl-2,3,3a,4,5,6,7,8a-octahydro-1H-azulene
CID 102156162
(5R)-2,5-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 139498091
(2S,4aS,7S,8aR)-7-methyl-4-methylidene-2-phenyl-2,3,4a,5,6,7,8,8a-octahydrochromene
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene?
The IUPAC name of 2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene (CID 123885670) is 2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene.
What is the SMILES notation for 2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene?
The canonical SMILES for 2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene is C=C1CCC(=C)C2CC(C)CCC12.
What is the InChIKey of 2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene?
The InChIKey is ZWCJDVJXTAQSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-9-4-7-12-10(2)5-6-11(3)13(12)8-9/h9,12-13H,2-8H2,1H3.
What are the key properties of 2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene?
2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene has a molecular weight of 176.30 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,8-dimethylidene-1,2,3,4,4a,6,7,8a-octahydronaphthalene is sourced from PubChem (CID 123885670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).