ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C26H50 — CID 142300008

IUPACethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC.CC(C)C1CCC2CCCCC2C1.CC1CCCC2CCCCC12
InChIInChI=1S/C13H24.C11H20.C2H6/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-2/h10-13H,3-9H2,1-2H3;9-11H,2-8H2,1H3;1-2H3
InChIKeyIKYXFKJWJQQKIF-UHFFFAOYSA-N
MW362.69 g/mol
LogP8.89
Rot. Bonds1

About ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 142300008) has the molecular formula C26H50 and a molecular weight of 362.69 g/mol. Its IUPAC name is ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Nameethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID142300008
Molecular FormulaC26H50
Molecular Weight362.69 g/mol
Exact Mass362.39
IUPAC Nameethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCC.CC(C)C1CCC2CCCCC2C1.CC1CCCC2CCCCC12
InChIInChI=1S/C13H24.C11H20.C2H6/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-2/h10-13H,3-9H2,1-2H3;9-11H,2-8H2,1H3;1-2H3
InChIKeyIKYXFKJWJQQKIF-UHFFFAOYSA-N
XLogP8.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.69
LogP ≤ 58.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene 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

(2R,4aS,8aR)-2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 129374932
(1R)-1-cyclobutyl-4-(2-methylcyclohexyl)cycloheptane
CID 163683133
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
1-cyclobutyl-2-methylcyclohexane
CID 146763407
cyclobutane;1-cyclobutyl-3-methylcyclooctane;cyclooctane;ethane;methylcyclooctane;(1R)-1-methyl-2-(5-methylcyclooctyl)cyclooctane
CID 158906506
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690
(1R,3aS,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 12701541
2-methylbicyclo[5.2.0]nonane
CID 90842882
(1R,3aR,6aR)-1-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 12702720

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 142300008) is ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CC.CC(C)C1CCC2CCCCC2C1.CC1CCCC2CCCCC12.
What is the InChIKey of ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is IKYXFKJWJQQKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24.C11H20.C2H6/c1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;1-9-5-4-7-10-6-2-3-8-11(9)10;1-2/h10-13H,3-9H2,1-2H3;9-11H,2-8H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 362.69 g/mol, XLogP of 8.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 142300008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).