2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C15H28 — CID 142876945

IUPAC2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1CC2CCCCC2CC1C(C)C
InChIInChI=1S/C15H28/c1-4-12-9-13-7-5-6-8-14(13)10-15(12)11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyHKVNFUQKBKWAHV-UHFFFAOYSA-N
MW208.39 g/mol
LogP4.89
Rot. Bonds2

About 2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 142876945) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID142876945
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCC1CC2CCCCC2CC1C(C)C
InChIInChI=1S/C15H28/c1-4-12-9-13-7-5-6-8-14(13)10-15(12)11(2)3/h11-15H,4-10H2,1-3H3
InChIKeyHKVNFUQKBKWAHV-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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 2-ethyl-3-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

Decalin
CID 7044
1,2,4-Trimethylcyclohexane
CID 91517
2-Methyldecalin
CID 94249
Decahydro-1-methylnaphthalene
CID 34193
1,2,4,5-Tetramethylcyclohexane
CID 92914
Phenanthrene, tetradecahydro-
CID 21971
Tetradecahydroanthracene
CID 93034
cis,trans,cis-1,2,4-Trimethylcyclohexane
CID 12536912
Naphthalene, decahydro-2,3-dimethyl-
CID 13885
Naphthalene, decahydro-2,6-dimethyl-
CID 15379
(1S,2S,4S)-1,2,4-trimethylcyclohexane
CID 252327
1Alpha,2beta,4-beta-trimethylcyclohexane
CID 6432704

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 142876945) is 2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCC1CC2CCCCC2CC1C(C)C.
What is the InChIKey of 2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is HKVNFUQKBKWAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-4-12-9-13-7-5-6-8-14(13)10-15(12)11(2)3/h11-15H,4-10H2,1-3H3.
What are the key properties of 2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 208.39 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-propan-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 142876945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).