methane;2-methylpropylbenzene;pentane

C17H34 — CID 162015938

IUPACmethane;2-methylpropylbenzene;pentane
SMILESC.C.CC(C)Cc1ccccc1.CCCCC
InChIInChI=1S/C10H14.C5H12.2CH4/c1-9(2)8-10-6-4-3-5-7-10;1-3-5-4-2;;/h3-7,9H,8H2,1-2H3;3-5H2,1-2H3;2*1H4
InChIKeyYUCIOYZNEATBDC-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.35
Rot. Bonds4

About methane;2-methylpropylbenzene;pentane

methane;2-methylpropylbenzene;pentane (PubChem CID 162015938) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is methane;2-methylpropylbenzene;pentane.

Molecular Properties

Compound Namemethane;2-methylpropylbenzene;pentane
PubChem CID162015938
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Namemethane;2-methylpropylbenzene;pentane
SMILESC.C.CC(C)Cc1ccccc1.CCCCC
InChIInChI=1S/C10H14.C5H12.2CH4/c1-9(2)8-10-6-4-3-5-7-10;1-3-5-4-2;;/h3-7,9H,8H2,1-2H3;3-5H2,1-2H3;2*1H4
InChIKeyYUCIOYZNEATBDC-UHFFFAOYSA-N
XLogP6.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-methylpropylbenzene
CID 162200929
1-deuterio-2-(2-methylpropyl)benzene
CID 18666415
1-(2-methylpropyl)-4-(2-phenylethyl)benzene
CID 56625667
formic acid;2-methylpropylbenzene
CID 162001374
1-fluoro-4-(2-methylpropyl)benzene;2-methylpropylbenzene
CID 145233135
1-(2-methylpropyl)-4-pentylbenzene
CID 57045392
2-methylheptylbenzene;2-methyloctylbenzene
CID 174049605
ethane;2-methylheptylbenzene
CID 142204161
bis(2,3-dimethylbutane);bis(2-methylpropane);bis(2-methylpropan-1-ol);bis(2-methylpropylbenzene)
CID 162250352
hydrogen peroxide;2-methyldodecylbenzene
CID 159185106
N-(1-phenylpropan-2-yl)hexan-2-amine
CID 63012254
2-benzyltetradecylbenzene
CID 22920205

Frequently Asked Questions

What is the IUPAC name of methane;2-methylpropylbenzene;pentane?
The IUPAC name of methane;2-methylpropylbenzene;pentane (CID 162015938) is methane;2-methylpropylbenzene;pentane.
What is the SMILES notation for methane;2-methylpropylbenzene;pentane?
The canonical SMILES for methane;2-methylpropylbenzene;pentane is C.C.CC(C)Cc1ccccc1.CCCCC.
What is the InChIKey of methane;2-methylpropylbenzene;pentane?
The InChIKey is YUCIOYZNEATBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C5H12.2CH4/c1-9(2)8-10-6-4-3-5-7-10;1-3-5-4-2;;/h3-7,9H,8H2,1-2H3;3-5H2,1-2H3;2*1H4.
What are the key properties of methane;2-methylpropylbenzene;pentane?
methane;2-methylpropylbenzene;pentane has a molecular weight of 238.46 g/mol, XLogP of 6.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylpropylbenzene;pentane is sourced from PubChem (CID 162015938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).