ethane;1-ethyl-2-hexan-3-ylbenzene

C18H34 — CID 165145601

IUPACethane;1-ethyl-2-hexan-3-ylbenzene
SMILESCC.CC.CCCC(CC)c1ccccc1CC
InChIInChI=1S/C14H22.2C2H6/c1-4-9-12(5-2)14-11-8-7-10-13(14)6-3;2*1-2/h7-8,10-12H,4-6,9H2,1-3H3;2*1-2H3
InChIKeyBPBWGGMMWSEJKX-UHFFFAOYSA-N
MW250.47 g/mol
LogP6.60
Rot. Bonds5

About ethane;1-ethyl-2-hexan-3-ylbenzene

ethane;1-ethyl-2-hexan-3-ylbenzene (PubChem CID 165145601) has the molecular formula C18H34 and a molecular weight of 250.47 g/mol. Its IUPAC name is ethane;1-ethyl-2-hexan-3-ylbenzene.

Molecular Properties

Compound Nameethane;1-ethyl-2-hexan-3-ylbenzene
PubChem CID165145601
Molecular FormulaC18H34
Molecular Weight250.47 g/mol
Exact Mass250.27
IUPAC Nameethane;1-ethyl-2-hexan-3-ylbenzene
SMILESCC.CC.CCCC(CC)c1ccccc1CC
InChIInChI=1S/C14H22.2C2H6/c1-4-9-12(5-2)14-11-8-7-10-13(14)6-3;2*1-2/h7-8,10-12H,4-6,9H2,1-3H3;2*1-2H3
InChIKeyBPBWGGMMWSEJKX-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.47
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-[(2S)-pentan-2-yl]benzene
CID 144927407
1-(bromomethyl)-2-decan-3-ylbenzene
CID 19808859
(2-pentan-3-ylphenyl)methanesulfonyl chloride
CID 84710322
2-(2-hexan-3-ylphenyl)phenol
CID 66866315
1-ethyl-2-[1-(2-methylphenyl)propyl]benzene
CID 18968346
3-hexan-3-yl-2-methylpyridine
CID 143825062
1-(1-ethoxypropyl)-2-ethylbenzene
CID 19386633
2-ethoxy-3-hexan-3-ylpyridine
CID 130368203
1-ethyl-2-[(1S)-1-methylsulfonylpentyl]benzene
CID 91798437
2-hexan-3-ylnaphthalen-1-amine
CID 22706829
2-methyl-3-(2-pentan-3-ylphenyl)propanoic acid
CID 115006023
2-(2-ethylphenyl)butanamide
CID 69466890

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-hexan-3-ylbenzene?
The IUPAC name of ethane;1-ethyl-2-hexan-3-ylbenzene (CID 165145601) is ethane;1-ethyl-2-hexan-3-ylbenzene.
What is the SMILES notation for ethane;1-ethyl-2-hexan-3-ylbenzene?
The canonical SMILES for ethane;1-ethyl-2-hexan-3-ylbenzene is CC.CC.CCCC(CC)c1ccccc1CC.
What is the InChIKey of ethane;1-ethyl-2-hexan-3-ylbenzene?
The InChIKey is BPBWGGMMWSEJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22.2C2H6/c1-4-9-12(5-2)14-11-8-7-10-13(14)6-3;2*1-2/h7-8,10-12H,4-6,9H2,1-3H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-2-hexan-3-ylbenzene?
ethane;1-ethyl-2-hexan-3-ylbenzene has a molecular weight of 250.47 g/mol, XLogP of 6.60, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-hexan-3-ylbenzene is sourced from PubChem (CID 165145601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).