methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene

C24H40 — CID 162029093

IUPACmethane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
SMILESC.C.CC(C)[C@@H](C)c1ccccc1.CC(C)[C@H](C)c1ccccc1
InChIInChI=1S/2C11H16.2CH4/c2*1-9(2)10(3)11-7-5-4-6-8-11;;/h2*4-10H,1-3H3;2*1H4/t2*10-;;/m10../s1
InChIKeyYVTYFRCUVDZPHH-URVPKTFKSA-N
MW328.58 g/mol
LogP8.16
Rot. Bonds4

About methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene

methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene (PubChem CID 162029093) has the molecular formula C24H40 and a molecular weight of 328.58 g/mol. Its IUPAC name is methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene.

Molecular Properties

Compound Namemethane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
PubChem CID162029093
Molecular FormulaC24H40
Molecular Weight328.58 g/mol
Exact Mass328.31
IUPAC Namemethane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
SMILESC.C.CC(C)[C@@H](C)c1ccccc1.CC(C)[C@H](C)c1ccccc1
InChIInChI=1S/2C11H16.2CH4/c2*1-9(2)10(3)11-7-5-4-6-8-11;;/h2*4-10H,1-3H3;2*1H4/t2*10-;;/m10../s1
InChIKeyYVTYFRCUVDZPHH-URVPKTFKSA-N
XLogP8.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.58
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
methane;3-methylbutan-2-ylbenzene;3-methylbutan-2-ylcyclohexane
CID 162170584
1,1-diphenylpropan-2-ylbenzene
CID 3664636
2,3-dimethylbutane;2-methylbutane;[(2R)-3-methylbutan-2-yl]benzene;2-methylpentane
CID 158273528
3-fluorobutan-2-ylbenzene
CID 159211068
(3S)-2-methyl-3-phenylbutan-1-amine
CID 143116656
ethane;methane;1-phenylethylbenzene
CID 143105414
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
propan-2-ylcyclodecapentaene
CID 123508933
cumene
CID 161227923
benzene;cumene
CID 157215889

Frequently Asked Questions

What is the IUPAC name of methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene?
The IUPAC name of methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene (CID 162029093) is methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene.
What is the SMILES notation for methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene?
The canonical SMILES for methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene is C.C.CC(C)[C@@H](C)c1ccccc1.CC(C)[C@H](C)c1ccccc1.
What is the InChIKey of methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene?
The InChIKey is YVTYFRCUVDZPHH-URVPKTFKSA-N. The full InChI is InChI=1S/2C11H16.2CH4/c2*1-9(2)10(3)11-7-5-4-6-8-11;;/h2*4-10H,1-3H3;2*1H4/t2*10-;;/m10../s1.
What are the key properties of methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene?
methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene has a molecular weight of 328.58 g/mol, XLogP of 8.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene is sourced from PubChem (CID 162029093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).