1-butoxy-2-non-8-enylbenzene

C19H30O — CID 18786588

IUPAC1-butoxy-2-non-8-enylbenzene
SMILESC=CCCCCCCCc1ccccc1OCCCC
InChIInChI=1S/C19H30O/c1-3-5-7-8-9-10-11-14-18-15-12-13-16-19(18)20-17-6-4-2/h3,12-13,15-16H,1,4-11,14,17H2,2H3
InChIKeyVYVJBIQSKPMZLH-UHFFFAOYSA-N
MW274.45 g/mol
LogP5.93
Rot. Bonds12

About 1-butoxy-2-non-8-enylbenzene

1-butoxy-2-non-8-enylbenzene (PubChem CID 18786588) has the molecular formula C19H30O and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-butoxy-2-non-8-enylbenzene.

Molecular Properties

Compound Name1-butoxy-2-non-8-enylbenzene
PubChem CID18786588
Molecular FormulaC19H30O
Molecular Weight274.45 g/mol
Exact Mass274.23
IUPAC Name1-butoxy-2-non-8-enylbenzene
SMILESC=CCCCCCCCc1ccccc1OCCCC
InChIInChI=1S/C19H30O/c1-3-5-7-8-9-10-11-14-18-15-12-13-16-19(18)20-17-6-4-2/h3,12-13,15-16H,1,4-11,14,17H2,2H3
InChIKeyVYVJBIQSKPMZLH-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.45
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-ethyl-2-hept-6-enoxybenzene
CID 107010566
1-octadecoxy-2-tridecylbenzene
CID 139667656
1-heptyl-2-octadecoxybenzene
CID 139667653
1-butyl-2-nonoxybenzene
CID 118255282
1-hex-5-enyl-2-propylbenzene
CID 18786540
2-(2-dodecylphenoxy)ethanol
CID 14475097
(2-hept-6-enoxyphenyl)methanol
CID 107007457
2-methyl-2-[(2-tridec-12-enylphenoxy)methyl]oxirane
CID 101312846
1-decyl-2-ethoxybenzene
CID 175243335
2-[(2-non-8-enylphenoxy)methyl]oxirane
CID 101312578
2-(2-butoxyphenyl)ethanamine;hydrochloride
CID 3045706
1-methyl-2-oct-7-enylbenzene
CID 18786509

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-non-8-enylbenzene?
The IUPAC name of 1-butoxy-2-non-8-enylbenzene (CID 18786588) is 1-butoxy-2-non-8-enylbenzene.
What is the SMILES notation for 1-butoxy-2-non-8-enylbenzene?
The canonical SMILES for 1-butoxy-2-non-8-enylbenzene is C=CCCCCCCCc1ccccc1OCCCC.
What is the InChIKey of 1-butoxy-2-non-8-enylbenzene?
The InChIKey is VYVJBIQSKPMZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O/c1-3-5-7-8-9-10-11-14-18-15-12-13-16-19(18)20-17-6-4-2/h3,12-13,15-16H,1,4-11,14,17H2,2H3.
What are the key properties of 1-butoxy-2-non-8-enylbenzene?
1-butoxy-2-non-8-enylbenzene has a molecular weight of 274.45 g/mol, XLogP of 5.93, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2-non-8-enylbenzene is sourced from PubChem (CID 18786588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).