1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene

C16H24O — CID 173058757

IUPAC1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene
SMILESCCCCCOCC=Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H24O/c1-4-5-6-9-17-10-7-8-16-12-14(2)11-15(3)13-16/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyISUGAVPHUAOKED-UHFFFAOYSA-N
MW232.37 g/mol
LogP4.52
Rot. Bonds7

About 1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene

1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene (PubChem CID 173058757) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene
PubChem CID173058757
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene
SMILESCCCCCOCC=Cc1cc(C)cc(C)c1
InChIInChI=1S/C16H24O/c1-4-5-6-9-17-10-7-8-16-12-14(2)11-15(3)13-16/h7-8,11-13H,4-6,9-10H2,1-3H3
InChIKeyISUGAVPHUAOKED-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.52
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

2-[(E)-3-butoxyprop-1-enyl]-1,3,5-trimethylbenzene
CID 11436211
3-nonoxyprop-1-enylbenzene
CID 91487084
3-henicosoxyprop-1-enylbenzene
CID 139660432
4-(3-butoxyprop-1-enyl)benzaldehyde
CID 54299174
1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834
1,3,5-trichloro-2-[(E)-3-hexoxyprop-1-enyl]benzene
CID 173058483
[(E)-3-[4-[(E)-3-phenylprop-2-enoxy]butoxy]prop-1-enyl]benzene
CID 15531171
5-[(E)-tetradec-1-enyl]benzene-1,3-diol
CID 102403768
5-oct-1-enylbenzene-1,3-diol
CID 54079025
5-tridec-1-enylbenzene-1,3-diol
CID 71328262
1-[(E)-but-2-enoxy]hexadecane
CID 88726636
1-but-2-enoxyoctadecane
CID 123608986

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene?
The IUPAC name of 1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene (CID 173058757) is 1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene.
What is the SMILES notation for 1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene?
The canonical SMILES for 1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene is CCCCCOCC=Cc1cc(C)cc(C)c1.
What is the InChIKey of 1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene?
The InChIKey is ISUGAVPHUAOKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-4-5-6-9-17-10-7-8-16-12-14(2)11-15(3)13-16/h7-8,11-13H,4-6,9-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene?
1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene has a molecular weight of 232.37 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-pentoxyprop-1-enyl)benzene is sourced from PubChem (CID 173058757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).