(5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene

C15H28 — CID 162269378

IUPAC(5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene
SMILESCC(C)C1(C(C)C)C2CCCC2C[C@@H]1C
InChIInChI=1S/C15H28/c1-10(2)15(11(3)4)12(5)9-13-7-6-8-14(13)15/h10-14H,6-9H2,1-5H3/t12-,13?,14?/m0/s1
InChIKeyVOQPZMZTROTXAA-HSBZDZAISA-N
MW208.39 g/mol
LogP4.74
Rot. Bonds2

About (5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene

(5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene (PubChem CID 162269378) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is (5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene.

Molecular Properties

Compound Name(5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene
PubChem CID162269378
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name(5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene
SMILESCC(C)C1(C(C)C)C2CCCC2C[C@@H]1C
InChIInChI=1S/C15H28/c1-10(2)15(11(3)4)12(5)9-13-7-6-8-14(13)15/h10-14H,6-9H2,1-5H3/t12-,13?,14?/m0/s1
InChIKeyVOQPZMZTROTXAA-HSBZDZAISA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene with MolForge

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Related Compounds

(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
CID 162269699
6-methyl-6-propan-2-yl-2,3,3a,4,5,6a-hexahydro-1H-pentalene
CID 23383570
4-cyclobutyl-1,1,2-trimethylcyclopentane
CID 148918740
1-(2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl)ethanol
CID 15801257
(1S)-1-[(2R,3R,4aS,8aR)-2,3,8,8-tetramethyl-1,3,4,4a,5,6,7,8a-octahydronaphthalen-2-yl]ethanol
CID 124810976
1-(1,1,2,3-tetramethyl-3,4,4a,5,6,7,8,8a-octahydronaphthalen-2-yl)ethanone
CID 175479027
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);tetrakis(1,2,3,3a,4,5,6,6a-octahydropentalene);hexakis(2-methylpropane)
CID 161375940
2,3-dimethyltricyclo[4.3.0.02,5]nonane
CID 90794908
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240
6-ethyl-4,4,6,7-tetramethyl-1,2,3,4a,5,7,8,8a-octahydronaphthalene
CID 174846059
2-propan-2-yltricyclo[2.2.1.02,6]heptan-3-ol
CID 176797226
6-(2,4-dimethylpentan-3-yl)bicyclo[3.1.0]hexan-6-amine
CID 130517388

Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
The IUPAC name of (5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene (CID 162269378) is (5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene.
What is the SMILES notation for (5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
The canonical SMILES for (5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene is CC(C)C1(C(C)C)C2CCCC2C[C@@H]1C.
What is the InChIKey of (5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
The InChIKey is VOQPZMZTROTXAA-HSBZDZAISA-N. The full InChI is InChI=1S/C15H28/c1-10(2)15(11(3)4)12(5)9-13-7-6-8-14(13)15/h10-14H,6-9H2,1-5H3/t12-,13?,14?/m0/s1.
What are the key properties of (5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene?
(5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene has a molecular weight of 208.39 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-6,6-di(propan-2-yl)-2,3,3a,4,5,6a-hexahydro-1H-pentalene is sourced from PubChem (CID 162269378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).