2-propylhept-6-enylbenzene

C16H24 — CID 123998172

IUPAC2-propylhept-6-enylbenzene
SMILESC=CCCCC(CCC)Cc1ccccc1
InChIInChI=1S/C16H24/c1-3-5-7-11-15(10-4-2)14-16-12-8-6-9-13-16/h3,6,8-9,12-13,15H,1,4-5,7,10-11,14H2,2H3
InChIKeyJBBCHVNMZBNXQE-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.00
Rot. Bonds8

About 2-propylhept-6-enylbenzene

2-propylhept-6-enylbenzene (PubChem CID 123998172) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-propylhept-6-enylbenzene.

Molecular Properties

Compound Name2-propylhept-6-enylbenzene
PubChem CID123998172
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name2-propylhept-6-enylbenzene
SMILESC=CCCCC(CCC)Cc1ccccc1
InChIInChI=1S/C16H24/c1-3-5-7-11-15(10-4-2)14-16-12-8-6-9-13-16/h3,6,8-9,12-13,15H,1,4-5,7,10-11,14H2,2H3
InChIKeyJBBCHVNMZBNXQE-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2-benzyltetradecylbenzene
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pentan-2-ylbenzene;2-propylpentylbenzene
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(3S)-3-benzylheptan-1-ol
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6-benzyldecylbenzene
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1-(2-ethylpentyl)-4-phenylbenzene
CID 90914165
9-propyldodec-1-ene
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3-benzylheptadecan-1-ol
CID 70425860

Frequently Asked Questions

What is the IUPAC name of 2-propylhept-6-enylbenzene?
The IUPAC name of 2-propylhept-6-enylbenzene (CID 123998172) is 2-propylhept-6-enylbenzene.
What is the SMILES notation for 2-propylhept-6-enylbenzene?
The canonical SMILES for 2-propylhept-6-enylbenzene is C=CCCCC(CCC)Cc1ccccc1.
What is the InChIKey of 2-propylhept-6-enylbenzene?
The InChIKey is JBBCHVNMZBNXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-3-5-7-11-15(10-4-2)14-16-12-8-6-9-13-16/h3,6,8-9,12-13,15H,1,4-5,7,10-11,14H2,2H3.
What are the key properties of 2-propylhept-6-enylbenzene?
2-propylhept-6-enylbenzene has a molecular weight of 216.37 g/mol, XLogP of 5.00, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylhept-6-enylbenzene is sourced from PubChem (CID 123998172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).