3-ethylpentane;1,3,5-triethylbenzene

C19H34 — CID 159585163

IUPAC3-ethylpentane;1,3,5-triethylbenzene
SMILESCCC(CC)CC.CCc1cc(CC)cc(CC)c1
InChIInChI=1S/C12H18.C7H16/c1-4-10-7-11(5-2)9-12(6-3)8-10;1-4-7(5-2)6-3/h7-9H,4-6H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyMJNGGTOWXBUTAD-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.21
Rot. Bonds6

About 3-ethylpentane;1,3,5-triethylbenzene

3-ethylpentane;1,3,5-triethylbenzene (PubChem CID 159585163) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 3-ethylpentane;1,3,5-triethylbenzene.

Molecular Properties

Compound Name3-ethylpentane;1,3,5-triethylbenzene
PubChem CID159585163
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name3-ethylpentane;1,3,5-triethylbenzene
SMILESCCC(CC)CC.CCc1cc(CC)cc(CC)c1
InChIInChI=1S/C12H18.C7H16/c1-4-10-7-11(5-2)9-12(6-3)8-10;1-4-7(5-2)6-3/h7-9H,4-6H2,1-3H3;7H,4-6H2,1-3H3
InChIKeyMJNGGTOWXBUTAD-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

lithium;hydride;1,3,5-triethylbenzene
CID 174873379
1-[1-(3,5-diethylphenyl)propyl]-3,5-diethylbenzene
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(3,5-diethylphenyl)phosphane
CID 20818145
1-(3,5-diethylphenyl)propan-2-amine
CID 89151749
formyl chloride;1,3,5-triethylbenzene
CID 159946693
trilithium;benzene;1,3,5-triethylbenzene
CID 175560263
1-ethyl-3-methoxy-5-(2-methylpropyl)benzene
CID 155459307
1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene
CID 159034335
1-ethyl-3,5-bis(prop-2-enyl)benzene
CID 158269021
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
2-[3-ethyl-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 146269671

Frequently Asked Questions

What is the IUPAC name of 3-ethylpentane;1,3,5-triethylbenzene?
The IUPAC name of 3-ethylpentane;1,3,5-triethylbenzene (CID 159585163) is 3-ethylpentane;1,3,5-triethylbenzene.
What is the SMILES notation for 3-ethylpentane;1,3,5-triethylbenzene?
The canonical SMILES for 3-ethylpentane;1,3,5-triethylbenzene is CCC(CC)CC.CCc1cc(CC)cc(CC)c1.
What is the InChIKey of 3-ethylpentane;1,3,5-triethylbenzene?
The InChIKey is MJNGGTOWXBUTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C7H16/c1-4-10-7-11(5-2)9-12(6-3)8-10;1-4-7(5-2)6-3/h7-9H,4-6H2,1-3H3;7H,4-6H2,1-3H3.
What are the key properties of 3-ethylpentane;1,3,5-triethylbenzene?
3-ethylpentane;1,3,5-triethylbenzene has a molecular weight of 262.48 g/mol, XLogP of 6.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylpentane;1,3,5-triethylbenzene is sourced from PubChem (CID 159585163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).