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

C13H20 — CID 123973221

IUPAC4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESC=C1CCC2C(C)CCCC2C1=C
InChIInChI=1S/C13H20/c1-9-7-8-12-10(2)5-4-6-13(12)11(9)3/h10,12-13H,1,3-8H2,2H3
InChIKeyAHHDRBKSRFZPSF-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.94
Rot. Bonds

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

4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene (PubChem CID 123973221) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene.

Molecular Properties

Compound Name4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
PubChem CID123973221
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESC=C1CCC2C(C)CCCC2C1=C
InChIInChI=1S/C13H20/c1-9-7-8-12-10(2)5-4-6-13(12)11(9)3/h10,12-13H,1,3-8H2,2H3
InChIKeyAHHDRBKSRFZPSF-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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The IUPAC name of 4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene (CID 123973221) is 4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene.
What is the SMILES notation for 4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The canonical SMILES for 4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene is C=C1CCC2C(C)CCCC2C1=C.
What is the InChIKey of 4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The InChIKey is AHHDRBKSRFZPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-9-7-8-12-10(2)5-4-6-13(12)11(9)3/h10,12-13H,1,3-8H2,2H3.
What are the key properties of 4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-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 4-methyl-7,8-dimethylidene-1,2,3,4,4a,5,6,8a-octahydronaphthalene is sourced from PubChem (CID 123973221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).