1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene

C20H38 — CID 21348432

IUPAC1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
SMILESCC1C(C)C(C)C2C(C1C)C(C)C(C)(C)C(C)(C)C2C
InChIInChI=1S/C20H38/c1-11-12(2)14(4)18-16(6)20(9,10)19(7,8)15(5)17(18)13(11)3/h11-18H,1-10H3
InChIKeyPDUHHKRKAOJAEJ-UHFFFAOYSA-N
MW278.52 g/mol
LogP6.11
Rot. Bonds

About 1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene

1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene (PubChem CID 21348432) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is 1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene.

Molecular Properties

Compound Name1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
PubChem CID21348432
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
SMILESCC1C(C)C(C)C2C(C1C)C(C)C(C)(C)C(C)(C)C2C
InChIInChI=1S/C20H38/c1-11-12(2)14(4)18-16(6)20(9,10)19(7,8)15(5)17(18)13(11)3/h11-18H,1-10H3
InChIKeyPDUHHKRKAOJAEJ-UHFFFAOYSA-N
XLogP6.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene with MolForge

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Related Compounds

(1R,2R,3S,4S,4aS,4bR,5R,6R,7S,8S,8aR,9R,10S,10aS)-1,2,3,4,5,6,7,8,9,10-decamethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene
CID 91281388
2,3,4,6-tetramethylbicyclo[3.1.0]hexane
CID 91229213
(7S,8R)-3,4,7,8-tetramethyltricyclo[4.2.0.02,5]octane
CID 58241652
(2R,3S,5R,6R)-2,3,5,6-tetramethylbicyclo[2.2.0]hexane
CID 123730639
2,4,6,8,9,10-hexamethyladamantane
CID 58325503
1,2,3,4,5,6,7-heptamethylcycloheptane
CID 58641136
2,4,6,7,8-pentamethyltricyclo[3.3.1.03,9]nonane
CID 123787796
1,1,2,3,4,5-hexamethylcyclopentane
CID 158781984
(1R,2R,3S,3aR,4S,5S,7aR)-2-[(1S)-1-[(1R,2S,4R,5S)-5-[(1R)-1-[(1R,2R,3S,3aR,4S,5S,7aR)-1,3,4,5,6,6,7,7-octamethyl-2,3,3a,4,5,7a-hexahydro-1H-inden-2-yl]ethyl]-2,3,4-trimethylcyclohexyl]ethyl]-1,3,4,5,6,6,7,7-octamethyl-2,3,3a,4,5,7a-hexahydro-1H-indene
CID 91075149
1,3,4,6,9,10-hexamethylpentacyclo[5.4.0.02,11.03,10.05,8]undecane
CID 123739870
2,4,6,7,9,11,13,15,16,28-decamethyldecacyclo[15.10.1.03,25.05,24.08,23.010,22.012,20.014,19.018,27.021,26]octacosane
CID 58453423
bis(dichlororhodium);bis(1,2,3,4,5-pentamethylcyclopentane)
CID 74890113

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The IUPAC name of 1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene (CID 21348432) is 1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene.
What is the SMILES notation for 1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The canonical SMILES for 1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene is CC1C(C)C(C)C2C(C1C)C(C)C(C)(C)C(C)(C)C2C.
What is the InChIKey of 1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The InChIKey is PDUHHKRKAOJAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38/c1-11-12(2)14(4)18-16(6)20(9,10)19(7,8)15(5)17(18)13(11)3/h11-18H,1-10H3.
What are the key properties of 1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene has a molecular weight of 278.52 g/mol, XLogP of 6.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,6,7,7,8-decamethyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene is sourced from PubChem (CID 21348432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).