(4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene

C12H20 — CID 14339064

IUPAC(4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
SMILESC[C@]12CCC=C[C@@]1(C)CCCC2
InChIInChI=1S/C12H20/c1-11-7-3-5-9-12(11,2)10-6-4-8-11/h3,7H,4-6,8-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyXNZZQVHNUKVINZ-NWDGAFQWSA-N
MW164.29 g/mol
LogP3.92
Rot. Bonds

About (4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene

(4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene (PubChem CID 14339064) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene.

Molecular Properties

Compound Name(4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
PubChem CID14339064
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene
SMILESC[C@]12CCC=C[C@@]1(C)CCCC2
InChIInChI=1S/C12H20/c1-11-7-3-5-9-12(11,2)10-6-4-8-11/h3,7H,4-6,8-10H2,1-2H3/t11-,12+/m0/s1
InChIKeyXNZZQVHNUKVINZ-NWDGAFQWSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aR,8aS)-8a-hydroperoxy-4a-methyl-1,2,3,4,5,6-hexahydronaphthalene
CID 134895807
(4aR,8aR)-4a,8a-dimethyl-3,4,5,6-tetrahydro-1H-naphthalen-2-one
CID 130831423
4a,8a-dimethyl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
CID 565274
(3aR,7aR)-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-indene
CID 160715479
3-fluoro-3-methylcyclooctene
CID 154031859
(7aS)-3a,7a-dimethyl-2,3,6,7-tetrahydroinden-1-one
CID 131204388
3-methyl-3-methylcyclohexene
CID 163592791
5-methyl-2,5-bis(1-methylcyclohexyl)cyclohexa-1,3-diene
CID 141409327
1-aminocyclopent-2-en-1-ol
CID 23056881
1-methyl-1-[1-(1-methylcyclohexyl)cyclopentyl]cyclohexane
CID 91349498
(2Z)-1-fluorocyclooct-2-ene-1-thiol
CID 174305731
4,4-dimethylspiro[4.5]dec-9-ene
CID 102083414

Frequently Asked Questions

What is the IUPAC name of (4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene?
The IUPAC name of (4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene (CID 14339064) is (4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene.
What is the SMILES notation for (4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene?
The canonical SMILES for (4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene is C[C@]12CCC=C[C@@]1(C)CCCC2.
What is the InChIKey of (4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene?
The InChIKey is XNZZQVHNUKVINZ-NWDGAFQWSA-N. The full InChI is InChI=1S/C12H20/c1-11-7-3-5-9-12(11,2)10-6-4-8-11/h3,7H,4-6,8-10H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of (4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene?
(4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene has a molecular weight of 164.29 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,8aR)-4a,8a-dimethyl-1,2,3,4,5,6-hexahydronaphthalene is sourced from PubChem (CID 14339064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).