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

C18H34 — CID 166130480

IUPAC(4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene
SMILESCC(C)CC1C2CCCC(C)(C)[C@@H]2CCC1(C)C
InChIInChI=1S/C18H34/c1-13(2)12-16-14-8-7-10-17(3,4)15(14)9-11-18(16,5)6/h13-16H,7-12H2,1-6H3/t14?,15-,16?/m1/s1
InChIKeyDCYXLTQVYVYAKN-HWOWSKLDSA-N
MW250.47 g/mol
LogP5.91
Rot. Bonds2

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

(4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene (PubChem CID 166130480) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is (4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene.

Molecular Properties

Compound Name(4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene
PubChem CID166130480
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Name(4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene
SMILESCC(C)CC1C2CCCC(C)(C)[C@@H]2CCC1(C)C
InChIInChI=1S/C18H34/c1-13(2)12-16-14-8-7-10-17(3,4)15(14)9-11-18(16,5)6/h13-16H,7-12H2,1-6H3/t14?,15-,16?/m1/s1
InChIKeyDCYXLTQVYVYAKN-HWOWSKLDSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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(3aS,5aR,9aS,9bR)-3a,6,6-trimethyl-1,2,4,5,5a,7,8,9,9a,9b-decahydrobenzo[e][1]benzofuran
CID 70475897
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2-propan-2-yl-5-(4,4,13,14-tetramethyl-1,2,3,5,6,7,8,9,10,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)hexane-1-thiol
CID 139524548
6-(2-methylpropyl)bicyclo[3.1.0]hexane
CID 154519615
1,1-dimethyl-2-propan-2-ylcyclopentane
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(3R,3aR,5aR,5bR,13bS)-3-[(2S)-hexan-2-yl]-5a,5b,8,8,13b-pentamethyl-2,3,3a,4,5,6,7,7a,9,10,11,11a,11b,12,13,13a-hexadecahydro-1H-cyclopenta[a]chrysene
CID 91752352
(4aS,8aR)-5,5,8a-trimethyl-2-(2-methylpropyl)-1,2,3,4,4a,6,7,8-octahydronaphthalene
CID 57210589
1-[2,2-dimethyl-3-(2-methylpropyl)cyclopropyl]cyclopropan-1-ol
CID 130446966
8,8-dimethyl-3-(2-methylpropyl)-2,3,4,4a,5,6,7,8a-octahydrobenzo[b][1,4]oxazine
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1,1,3,4-tetramethyl-2-(3-methylbutyl)cyclohexane
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Frequently Asked Questions

What is the IUPAC name of (4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene?
The IUPAC name of (4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene (CID 166130480) is (4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene.
What is the SMILES notation for (4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene?
The canonical SMILES for (4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene is CC(C)CC1C2CCCC(C)(C)[C@@H]2CCC1(C)C.
What is the InChIKey of (4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene?
The InChIKey is DCYXLTQVYVYAKN-HWOWSKLDSA-N. The full InChI is InChI=1S/C18H34/c1-13(2)12-16-14-8-7-10-17(3,4)15(14)9-11-18(16,5)6/h13-16H,7-12H2,1-6H3/t14?,15-,16?/m1/s1.
What are the key properties of (4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene?
(4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene has a molecular weight of 250.47 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR)-4,4,7,7-tetramethyl-8-(2-methylpropyl)-1,2,3,4a,5,6,8,8a-octahydronaphthalene is sourced from PubChem (CID 166130480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).