ethane;(3S)-2,3,4,4-tetramethylpent-1-ene

C11H24 — CID 145347239

IUPACethane;(3S)-2,3,4,4-tetramethylpent-1-ene
SMILESC=C(C)[C@@H](C)C(C)(C)C.CC
InChIInChI=1S/C9H18.C2H6/c1-7(2)8(3)9(4,5)6;1-2/h8H,1H2,2-6H3;1-2H3/t8-;/m1./s1
InChIKeyQBUQBVKXDHJXAO-DDWIOCJRSA-N
MW156.31 g/mol
LogP4.27
Rot. Bonds1

About ethane;(3S)-2,3,4,4-tetramethylpent-1-ene

ethane;(3S)-2,3,4,4-tetramethylpent-1-ene (PubChem CID 145347239) has the molecular formula C11H24 and a molecular weight of 156.31 g/mol. Its IUPAC name is ethane;(3S)-2,3,4,4-tetramethylpent-1-ene.

Molecular Properties

Compound Nameethane;(3S)-2,3,4,4-tetramethylpent-1-ene
PubChem CID145347239
Molecular FormulaC11H24
Molecular Weight156.31 g/mol
Exact Mass156.19
IUPAC Nameethane;(3S)-2,3,4,4-tetramethylpent-1-ene
SMILESC=C(C)[C@@H](C)C(C)(C)C.CC
InChIInChI=1S/C9H18.C2H6/c1-7(2)8(3)9(4,5)6;1-2/h8H,1H2,2-6H3;1-2H3/t8-;/m1./s1
InChIKeyQBUQBVKXDHJXAO-DDWIOCJRSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.31
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethylbutane;bis(2,3-dimethylbut-1-ene)
CID 158413804
4,5,5-trimethyl-3-methylidenehex-1-en-2-amine
CID 126550733
3-bromo-2,5,6,6-tetramethylhept-1-ene
CID 146352481
(2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol
CID 124933373
N-(3,3-dimethylbut-1-en-2-yl)-2,4-dimethylpent-1-en-3-amine;ethane
CID 142406278
2,4,4-trimethylpent-1-en-3-amine
CID 15063448
2,4-dimethyl-3-propan-2-ylpent-1-ene
CID 91388460
ethane;propan-2-amine;prop-1-en-2-amine
CID 162282667
(3R)-3-[[(3R)-3,4,4-trimethylpent-1-en-2-yl]amino]butan-2-one
CID 170131875
(4S)-4,5,5-trimethylhexane-2,3-dione
CID 13299605
2-methylpropane;prop-1-en-2-amine
CID 174893746
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962

Frequently Asked Questions

What is the IUPAC name of ethane;(3S)-2,3,4,4-tetramethylpent-1-ene?
The IUPAC name of ethane;(3S)-2,3,4,4-tetramethylpent-1-ene (CID 145347239) is ethane;(3S)-2,3,4,4-tetramethylpent-1-ene.
What is the SMILES notation for ethane;(3S)-2,3,4,4-tetramethylpent-1-ene?
The canonical SMILES for ethane;(3S)-2,3,4,4-tetramethylpent-1-ene is C=C(C)[C@@H](C)C(C)(C)C.CC.
What is the InChIKey of ethane;(3S)-2,3,4,4-tetramethylpent-1-ene?
The InChIKey is QBUQBVKXDHJXAO-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H18.C2H6/c1-7(2)8(3)9(4,5)6;1-2/h8H,1H2,2-6H3;1-2H3/t8-;/m1./s1.
What are the key properties of ethane;(3S)-2,3,4,4-tetramethylpent-1-ene?
ethane;(3S)-2,3,4,4-tetramethylpent-1-ene has a molecular weight of 156.31 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3S)-2,3,4,4-tetramethylpent-1-ene is sourced from PubChem (CID 145347239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).