3-nonoxyprop-1-enylbenzene

C18H28O — CID 91487084

IUPAC3-nonoxyprop-1-enylbenzene
SMILESCCCCCCCCCOCC=Cc1ccccc1
InChIInChI=1S/C18H28O/c1-2-3-4-5-6-7-11-16-19-17-12-15-18-13-9-8-10-14-18/h8-10,12-15H,2-7,11,16-17H2,1H3
InChIKeyDDPFCUJZHUBGAG-UHFFFAOYSA-N
MW260.42 g/mol
LogP5.47
Rot. Bonds11

About 3-nonoxyprop-1-enylbenzene

3-nonoxyprop-1-enylbenzene (PubChem CID 91487084) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is 3-nonoxyprop-1-enylbenzene.

Molecular Properties

Compound Name3-nonoxyprop-1-enylbenzene
PubChem CID91487084
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name3-nonoxyprop-1-enylbenzene
SMILESCCCCCCCCCOCC=Cc1ccccc1
InChIInChI=1S/C18H28O/c1-2-3-4-5-6-7-11-16-19-17-12-15-18-13-9-8-10-14-18/h8-10,12-15H,2-7,11,16-17H2,1H3
InChIKeyDDPFCUJZHUBGAG-UHFFFAOYSA-N
XLogP5.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-henicosoxyprop-1-enylbenzene
CID 139660432
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
N-[2-(3-phenylprop-2-enoxy)ethyl]hexan-1-amine
CID 76946619
5-(3-phenylprop-2-enoxy)pentan-1-amine
CID 76943765
N-ethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 76943814
N-butyl-N-[2-(3-phenylprop-2-enoxy)ethyl]butan-1-amine
CID 70406880
[(E)-3-[(2Z,4Z)-pentadeca-2,4-dienoxy]prop-1-enyl]benzene
CID 177413497
N,N-dimethyl-4-(3-phenylprop-2-enoxy)butan-1-amine
CID 70406914
N-ethyl-3-(3-phenylprop-2-enoxy)propan-1-amine
CID 76943842
[(E)-octadec-1-enyl]benzene
CID 22722345
4-(3-butoxyprop-1-enyl)benzaldehyde
CID 54299174
1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834

Frequently Asked Questions

What is the IUPAC name of 3-nonoxyprop-1-enylbenzene?
The IUPAC name of 3-nonoxyprop-1-enylbenzene (CID 91487084) is 3-nonoxyprop-1-enylbenzene.
What is the SMILES notation for 3-nonoxyprop-1-enylbenzene?
The canonical SMILES for 3-nonoxyprop-1-enylbenzene is CCCCCCCCCOCC=Cc1ccccc1.
What is the InChIKey of 3-nonoxyprop-1-enylbenzene?
The InChIKey is DDPFCUJZHUBGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O/c1-2-3-4-5-6-7-11-16-19-17-12-15-18-13-9-8-10-14-18/h8-10,12-15H,2-7,11,16-17H2,1H3.
What are the key properties of 3-nonoxyprop-1-enylbenzene?
3-nonoxyprop-1-enylbenzene has a molecular weight of 260.42 g/mol, XLogP of 5.47, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nonoxyprop-1-enylbenzene is sourced from PubChem (CID 91487084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).