1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

C15H28 — CID 27255

IUPAC1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESCC(C)C1CCC2CCCC(C)C2(C)C1
InChIInChI=1S/C15H28/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h11-14H,5-10H2,1-4H3
InChIKeyAJWBFJHTFGRNDG-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds1

About 1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene

1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (PubChem CID 27255) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.

Molecular Properties

Compound Name1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
PubChem CID27255
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene
SMILESCC(C)C1CCC2CCCC(C)C2(C)C1
InChIInChI=1S/C15H28/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h11-14H,5-10H2,1-4H3
InChIKeyAJWBFJHTFGRNDG-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene 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

Pinane
CID 10129
Pinane, cis-(+)-
CID 10953595
2-Methyldecalin
CID 94249
Decahydro-1-methylnaphthalene
CID 34193
cis-Pinane
CID 10969850
(1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptane
CID 17755566
(+-)-cis-Pinane
CID 6429433
Phenanthrene, tetradecahydro-
CID 21971
Tetradecahydroanthracene
CID 93034
Taxane
CID 9548828
Naphthalene, decahydro-2,3-dimethyl-
CID 13885
Naphthalene, decahydro-2,6-dimethyl-
CID 15379

Frequently Asked Questions

What is the IUPAC name of 1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The IUPAC name of 1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene (CID 27255) is 1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene.
What is the SMILES notation for 1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The canonical SMILES for 1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is CC(C)C1CCC2CCCC(C)C2(C)C1.
What is the InChIKey of 1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
The InChIKey is AJWBFJHTFGRNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h11-14H,5-10H2,1-4H3.
What are the key properties of 1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene?
1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene has a molecular weight of 208.39 g/mol, XLogP of 4.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8a-dimethyl-7-propan-2-yl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene is sourced from PubChem (CID 27255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).