6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C19H36 — CID 58552782

IUPAC6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC(C)CC1CCC(C)C2CC(CC)CCC12
InChIInChI=1S/C19H36/c1-5-7-14(3)12-17-10-8-15(4)19-13-16(6-2)9-11-18(17)19/h14-19H,5-13H2,1-4H3
InChIKeyMVAWGHLXSOFVKF-UHFFFAOYSA-N
MW264.50 g/mol
LogP6.30
Rot. Bonds5

About 6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 58552782) has the molecular formula C19H36 and a molecular weight of 264.50 g/mol. Its IUPAC name is 6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID58552782
Molecular FormulaC19H36
Molecular Weight264.50 g/mol
Exact Mass264.28
IUPAC Name6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC(C)CC1CCC(C)C2CC(CC)CCC12
InChIInChI=1S/C19H36/c1-5-7-14(3)12-17-10-8-15(4)19-13-16(6-2)9-11-18(17)19/h14-19H,5-13H2,1-4H3
InChIKeyMVAWGHLXSOFVKF-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.50
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene with MolForge

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Related Compounds

1-ethyl-2-[2-(2-methylpentyl)cyclopropyl]cyclopropane
CID 123748919
4-ethyl-2-methyl-1-(3-methylbutyl)cyclohexane
CID 143714576
1-ethyl-4-(4-ethyl-2-methylcyclopentyl)-2,5-dimethylcycloheptane
CID 123854956
1-ethyl-2-methyl-5-(2-methylpropyl)cycloheptane
CID 123952928
1-(2,4-dimethylheptyl)-2-methylcyclopropane
CID 123484269
1,3-bis(2-methylpentyl)cyclobutane
CID 143683640
2-methyl-6-(2-methylpentyl)bicyclo[2.2.0]hexane
CID 123354520
[4-ethyl-2-(2-methylpropyl)cyclohexyl]methanamine
CID 81009989
2-(2-methylpentyl)-4-propylcyclohexan-1-ol
CID 63461803
N-[[2-(2-methylpentyl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029529
1-(5,5-dimethyl-3-propan-2-yl-2-propylheptyl)-4-ethyl-2-methylcyclohexane;ethane;propane
CID 177219670
[4-(2-methylpentyl)cyclohexyl]methanol
CID 129166925

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 58552782) is 6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCC(C)CC1CCC(C)C2CC(CC)CCC12.
What is the InChIKey of 6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is MVAWGHLXSOFVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36/c1-5-7-14(3)12-17-10-8-15(4)19-13-16(6-2)9-11-18(17)19/h14-19H,5-13H2,1-4H3.
What are the key properties of 6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 264.50 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-1-(2-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 58552782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).