1-[(Z)-pent-3-enyl]-4-pentoxybenzene

C16H24O — CID 83932611

IUPAC1-[(Z)-pent-3-enyl]-4-pentoxybenzene
SMILESC/C=C\CCc1ccc(OCCCCC)cc1
InChIInChI=1S/C16H24O/c1-3-5-7-9-15-10-12-16(13-11-15)17-14-8-6-4-2/h3,5,10-13H,4,6-9,14H2,1-2H3/b5-3-
InChIKeyQPAYQQUOKLELHY-HYXAFXHYSA-N
MW232.37 g/mol
LogP4.76
Rot. Bonds8

About 1-[(Z)-pent-3-enyl]-4-pentoxybenzene

1-[(Z)-pent-3-enyl]-4-pentoxybenzene (PubChem CID 83932611) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(Z)-pent-3-enyl]-4-pentoxybenzene.

Molecular Properties

Compound Name1-[(Z)-pent-3-enyl]-4-pentoxybenzene
PubChem CID83932611
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-[(Z)-pent-3-enyl]-4-pentoxybenzene
SMILESC/C=C\CCc1ccc(OCCCCC)cc1
InChIInChI=1S/C16H24O/c1-3-5-7-9-15-10-12-16(13-11-15)17-14-8-6-4-2/h3,5,10-13H,4,6-9,14H2,1-2H3/b5-3-
InChIKeyQPAYQQUOKLELHY-HYXAFXHYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 54.76
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-butoxy-4-[2-(4-pent-3-enylphenyl)ethynyl]benzene
CID 139767162
1-ethoxy-4-[(E)-pent-3-enyl]benzene
CID 22095339
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
3-(4-pentoxyphenyl)propan-1-imine
CID 163965079
1-pent-3-enyl-4-propylbenzene
CID 72599491
1,4-dipentoxybenzene
CID 18314717
1-decoxy-4-[2-(4-non-1-enylphenyl)ethyl]benzene
CID 54159128
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
1-hept-3-enyl-4-pent-3-enylbenzene
CID 123755117
4-(4-pentoxyphenyl)butan-2-one
CID 19885189
1,4-di(tetradecoxy)benzene
CID 57023723

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-pent-3-enyl]-4-pentoxybenzene?
The IUPAC name of 1-[(Z)-pent-3-enyl]-4-pentoxybenzene (CID 83932611) is 1-[(Z)-pent-3-enyl]-4-pentoxybenzene.
What is the SMILES notation for 1-[(Z)-pent-3-enyl]-4-pentoxybenzene?
The canonical SMILES for 1-[(Z)-pent-3-enyl]-4-pentoxybenzene is C/C=C\CCc1ccc(OCCCCC)cc1.
What is the InChIKey of 1-[(Z)-pent-3-enyl]-4-pentoxybenzene?
The InChIKey is QPAYQQUOKLELHY-HYXAFXHYSA-N. The full InChI is InChI=1S/C16H24O/c1-3-5-7-9-15-10-12-16(13-11-15)17-14-8-6-4-2/h3,5,10-13H,4,6-9,14H2,1-2H3/b5-3-.
What are the key properties of 1-[(Z)-pent-3-enyl]-4-pentoxybenzene?
1-[(Z)-pent-3-enyl]-4-pentoxybenzene has a molecular weight of 232.37 g/mol, XLogP of 4.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-pent-3-enyl]-4-pentoxybenzene is sourced from PubChem (CID 83932611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).