1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene

C20H38 — CID 18008145

IUPAC1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene
SMILESCCC(C)CCC1(C)C(C)CCC2(C)C(C)CCCC12
InChIInChI=1S/C20H38/c1-7-15(2)11-13-19(5)17(4)12-14-20(6)16(3)9-8-10-18(19)20/h15-18H,7-14H2,1-6H3
InChIKeyUKXNCRFTOXSKTE-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.69
Rot. Bonds4

About 1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene

1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene (PubChem CID 18008145) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene.

Molecular Properties

Compound Name1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene
PubChem CID18008145
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene
SMILESCCC(C)CCC1(C)C(C)CCC2(C)C(C)CCCC12
InChIInChI=1S/C20H38/c1-7-15(2)11-13-19(5)17(4)12-14-20(6)16(3)9-8-10-18(19)20/h15-18H,7-14H2,1-6H3
InChIKeyUKXNCRFTOXSKTE-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

2-Methyldecalin
CID 94249
Decahydro-1-methylnaphthalene
CID 34193
Taxane
CID 9548828
Naphthalene, decahydro-2,3-dimethyl-
CID 13885
Naphthalene, decahydro-2,6-dimethyl-
CID 15379
Oleanane
CID 9548717
Cyclohexane, 1,1'-(1,1,3-trimethyl-1,3-propanediyl)bis-
CID 94492
Amorphane
CID 34540
Naphthalene, decahydro-1,4-dimethyl-5-octyl-
CID 41260
2-n-Butyldecahydronaphthalene
CID 237522
Anthracene, 9-dodecyltetradecahydro-
CID 294752
9-n-Dodecylperhydrophenanthrene
CID 296267

Frequently Asked Questions

What is the IUPAC name of 1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The IUPAC name of 1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene (CID 18008145) is 1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene.
What is the SMILES notation for 1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The canonical SMILES for 1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene is CCC(C)CCC1(C)C(C)CCC2(C)C(C)CCCC12.
What is the InChIKey of 1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene?
The InChIKey is UKXNCRFTOXSKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-7-15(2)11-13-19(5)17(4)12-14-20(6)16(3)9-8-10-18(19)20/h15-18H,7-14H2,1-6H3.
What are the key properties of 1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene?
1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene has a molecular weight of 278.52 g/mol, XLogP of 6.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6,8a-tetramethyl-5-(3-methylpentyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene is sourced from PubChem (CID 18008145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).