ethane;1-methyl-3-pentylbenzene

C14H24 — CID 143267779

IUPACethane;1-methyl-3-pentylbenzene
SMILESCC.CCCCCc1cccc(C)c1
InChIInChI=1S/C12H18.C2H6/c1-3-4-5-8-12-9-6-7-11(2)10-12;1-2/h6-7,9-10H,3-5,8H2,1-2H3;1-2H3
InChIKeyLXFLEQBGDCHDON-UHFFFAOYSA-N
MW192.35 g/mol
LogP4.75
Rot. Bonds4

About ethane;1-methyl-3-pentylbenzene

ethane;1-methyl-3-pentylbenzene (PubChem CID 143267779) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is ethane;1-methyl-3-pentylbenzene.

Molecular Properties

Compound Nameethane;1-methyl-3-pentylbenzene
PubChem CID143267779
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Nameethane;1-methyl-3-pentylbenzene
SMILESCC.CCCCCc1cccc(C)c1
InChIInChI=1S/C12H18.C2H6/c1-3-4-5-8-12-9-6-7-11(2)10-12;1-2/h6-7,9-10H,3-5,8H2,1-2H3;1-2H3
InChIKeyLXFLEQBGDCHDON-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-methylbenzene;ethane;propane
CID 142068173
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
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ethane;4-(3-methylphenyl)butan-1-amine
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acetaldehyde;1-methyl-3-(3-octylphenyl)benzene
CID 142319117
ethane;pentane;1,3-xylene
CID 142052962
3-(3-methylphenyl)propan-1-amine
CID 12666388
N-decyl-N-[(3-methylphenyl)methyl]decan-1-amine
CID 6426056
1-methyl-3-(6-methylidenenonyl)benzene
CID 143689147
1-(3-methylphenyl)nonan-3-ol
CID 105085389
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
2-(3-pentylphenyl)ethanol
CID 163236984

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-pentylbenzene?
The IUPAC name of ethane;1-methyl-3-pentylbenzene (CID 143267779) is ethane;1-methyl-3-pentylbenzene.
What is the SMILES notation for ethane;1-methyl-3-pentylbenzene?
The canonical SMILES for ethane;1-methyl-3-pentylbenzene is CC.CCCCCc1cccc(C)c1.
What is the InChIKey of ethane;1-methyl-3-pentylbenzene?
The InChIKey is LXFLEQBGDCHDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C2H6/c1-3-4-5-8-12-9-6-7-11(2)10-12;1-2/h6-7,9-10H,3-5,8H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methyl-3-pentylbenzene?
ethane;1-methyl-3-pentylbenzene has a molecular weight of 192.35 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-pentylbenzene is sourced from PubChem (CID 143267779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).