5-ethylnon-2-en-2-ylbenzene

C17H26 — CID 139888186

IUPAC5-ethylnon-2-en-2-ylbenzene
SMILESCCCCC(CC)CC=C(C)c1ccccc1
InChIInChI=1S/C17H26/c1-4-6-10-16(5-2)14-13-15(3)17-11-8-7-9-12-17/h7-9,11-13,16H,4-6,10,14H2,1-3H3
InChIKeyMIDRMEPZNAIILX-UHFFFAOYSA-N
MW230.40 g/mol
LogP5.70
Rot. Bonds7

About 5-ethylnon-2-en-2-ylbenzene

5-ethylnon-2-en-2-ylbenzene (PubChem CID 139888186) has the molecular formula C17H26 and a molecular weight of 230.40 g/mol. Its IUPAC name is 5-ethylnon-2-en-2-ylbenzene.

Molecular Properties

Compound Name5-ethylnon-2-en-2-ylbenzene
PubChem CID139888186
Molecular FormulaC17H26
Molecular Weight230.40 g/mol
Exact Mass230.20
IUPAC Name5-ethylnon-2-en-2-ylbenzene
SMILESCCCCC(CC)CC=C(C)c1ccccc1
InChIInChI=1S/C17H26/c1-4-6-10-16(5-2)14-13-15(3)17-11-8-7-9-12-17/h7-9,11-13,16H,4-6,10,14H2,1-3H3
InChIKeyMIDRMEPZNAIILX-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.40
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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N-chloro-N-(2-ethylhexyl)benzamide
CID 150667226
5-ethyl-2-(hydroxymethyl)non-2-enoic acid
CID 57299484
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CID 102429308
5-ethyl-3-phenylnonan-1-ol
CID 145204155
heptan-3-ylbenzene;methane
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4-methylhex-2-en-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of 5-ethylnon-2-en-2-ylbenzene?
The IUPAC name of 5-ethylnon-2-en-2-ylbenzene (CID 139888186) is 5-ethylnon-2-en-2-ylbenzene.
What is the SMILES notation for 5-ethylnon-2-en-2-ylbenzene?
The canonical SMILES for 5-ethylnon-2-en-2-ylbenzene is CCCCC(CC)CC=C(C)c1ccccc1.
What is the InChIKey of 5-ethylnon-2-en-2-ylbenzene?
The InChIKey is MIDRMEPZNAIILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26/c1-4-6-10-16(5-2)14-13-15(3)17-11-8-7-9-12-17/h7-9,11-13,16H,4-6,10,14H2,1-3H3.
What are the key properties of 5-ethylnon-2-en-2-ylbenzene?
5-ethylnon-2-en-2-ylbenzene has a molecular weight of 230.40 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylnon-2-en-2-ylbenzene is sourced from PubChem (CID 139888186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).