ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene

C28H60 — CID 155726021

IUPACethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene
SMILESC.C.C.C=C(C)c1ccccc1.CC.CC.CC1CCCCC1.CCCCC
InChIInChI=1S/C9H10.C7H14.C5H12.2C2H6.3CH4/c1-8(2)9-6-4-3-5-7-9;1-7-5-3-2-4-6-7;1-3-5-4-2;2*1-2;;;/h3-7H,1H2,2H3;7H,2-6H2,1H3;3-5H2,1-2H3;2*1-2H3;3*1H4
InChIKeyLEGSNXGWNMCDKX-UHFFFAOYSA-N
MW396.79 g/mol
LogP11.46
Rot. Bonds3

About ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene

ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene (PubChem CID 155726021) has the molecular formula C28H60 and a molecular weight of 396.79 g/mol. Its IUPAC name is ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene.

Molecular Properties

Compound Nameethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene
PubChem CID155726021
Molecular FormulaC28H60
Molecular Weight396.79 g/mol
Exact Mass396.47
IUPAC Nameethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene
SMILESC.C.C.C=C(C)c1ccccc1.CC.CC.CC1CCCCC1.CCCCC
InChIInChI=1S/C9H10.C7H14.C5H12.2C2H6.3CH4/c1-8(2)9-6-4-3-5-7-9;1-7-5-3-2-4-6-7;1-3-5-4-2;2*1-2;;;/h3-7H,1H2,2H3;7H,2-6H2,1H3;3-5H2,1-2H3;2*1-2H3;3*1H4
InChIKeyLEGSNXGWNMCDKX-UHFFFAOYSA-N
XLogP11.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.79
LogP ≤ 511.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
P-Xylene
CID 7809
P-Cymene
CID 7463
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864

Frequently Asked Questions

What is the IUPAC name of ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene?
The IUPAC name of ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene (CID 155726021) is ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene.
What is the SMILES notation for ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene?
The canonical SMILES for ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene is C.C.C.C=C(C)c1ccccc1.CC.CC.CC1CCCCC1.CCCCC.
What is the InChIKey of ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene?
The InChIKey is LEGSNXGWNMCDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10.C7H14.C5H12.2C2H6.3CH4/c1-8(2)9-6-4-3-5-7-9;1-7-5-3-2-4-6-7;1-3-5-4-2;2*1-2;;;/h3-7H,1H2,2H3;7H,2-6H2,1H3;3-5H2,1-2H3;2*1-2H3;3*1H4.
What are the key properties of ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene?
ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene has a molecular weight of 396.79 g/mol, XLogP of 11.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;methylcyclohexane;pentane;prop-1-en-2-ylbenzene is sourced from PubChem (CID 155726021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).