2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene

C12H20 — CID 18715970

IUPAC2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
SMILESCC1CC2CC=CCC2CC1C
InChIInChI=1S/C12H20/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-4,9-12H,5-8H2,1-2H3
InChIKeyMERJPGYKGRUPDP-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.63
Rot. Bonds

About 2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene

2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene (PubChem CID 18715970) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene.

Molecular Properties

Compound Name2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
PubChem CID18715970
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
SMILESCC1CC2CC=CCC2CC1C
InChIInChI=1S/C12H20/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-4,9-12H,5-8H2,1-2H3
InChIKeyMERJPGYKGRUPDP-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.63
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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CID 9855795
delta-Cadinene
CID 441005
Alpha-muurolene, (-)-
CID 12306047
1,2,4-Trivinylcyclohexane
CID 96529
2-Isopropenyl-4a,8-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 10123
alpha-Selinene
CID 10856614
9beta-Pimara-7,15-diene
CID 10355909
(+)-5-Epi-Aristolochene
CID 5460659
Amorpha-4,11-diene
CID 11052747
1-epi-Bicyclosesquiphellandrene
CID 521496
3,7(11)-Eudesmadiene
CID 522296
gamma-Cadinene
CID 6432404

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The IUPAC name of 2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene (CID 18715970) is 2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene.
What is the SMILES notation for 2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The canonical SMILES for 2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene is CC1CC2CC=CCC2CC1C.
What is the InChIKey of 2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The InChIKey is MERJPGYKGRUPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-9-7-11-5-3-4-6-12(11)8-10(9)2/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene has a molecular weight of 164.29 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene is sourced from PubChem (CID 18715970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).