6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene

C20H38 — CID 142278867

IUPAC6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
SMILESCCCCC1CC2C(C)CC(CCC)CC2CC1(C)C
InChIInChI=1S/C20H38/c1-6-8-10-18-13-19-15(3)11-16(9-7-2)12-17(19)14-20(18,4)5/h15-19H,6-14H2,1-5H3
InChIKeyVINWJHIMRZQJSZ-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.69
Rot. Bonds5

About 6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene

6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene (PubChem CID 142278867) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene.

Molecular Properties

Compound Name6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
PubChem CID142278867
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene
SMILESCCCCC1CC2C(C)CC(CCC)CC2CC1(C)C
InChIInChI=1S/C20H38/c1-6-8-10-18-13-19-15(3)11-16(9-7-2)12-17(19)14-20(18,4)5/h15-19H,6-14H2,1-5H3
InChIKeyVINWJHIMRZQJSZ-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene with MolForge

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Related Compounds

1-butyl-3,5-dipropylcyclohexane
CID 145132341
(3R,5S)-3-butyl-2,2,5-trimethylpyrrolidine
CID 11052065
5-butyl-1,2,3-trimethylcyclohexane
CID 91035844
1,1-dimethyl-2-octylcyclopropane
CID 15329257
3-butyl-6-methylbicyclo[3.1.1]heptane
CID 147909490
[2-butyl-1-(hydroxymethyl)cyclopropyl]azanium chloride
CID 10726048
2,6-dimethyl-4-propylcyclohexan-1-amine
CID 138691500
1-butyl-2-(2-methylcyclopropyl)cyclopropane
CID 123941425
1-ethyl-1-methyl-3-(2-methylcyclopropyl)cyclobutane
CID 123695145
1-methyl-1-(3-methyl-2-pentylcyclobutyl)-3-propylcyclobutane
CID 123649878
(4-butyl-3,3-dimethylcyclopentyl) prop-2-enoate
CID 129100429
1,1-dimethyl-3-propylcyclobutane
CID 19073360

Frequently Asked Questions

What is the IUPAC name of 6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The IUPAC name of 6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene (CID 142278867) is 6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene.
What is the SMILES notation for 6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The canonical SMILES for 6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene is CCCCC1CC2C(C)CC(CCC)CC2CC1(C)C.
What is the InChIKey of 6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
The InChIKey is VINWJHIMRZQJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-6-8-10-18-13-19-15(3)11-16(9-7-2)12-17(19)14-20(18,4)5/h15-19H,6-14H2,1-5H3.
What are the key properties of 6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene?
6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene has a molecular weight of 278.52 g/mol, XLogP of 6.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-4,7,7-trimethyl-2-propyl-2,3,4,4a,5,6,8,8a-octahydro-1H-naphthalene is sourced from PubChem (CID 142278867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).