[(Z)-1-methoxytridec-1-en-2-yl]benzene

C20H32O — CID 101375240

IUPAC[(Z)-1-methoxytridec-1-en-2-yl]benzene
SMILESCCCCCCCCCCC/C(=C/OC)c1ccccc1
InChIInChI=1S/C20H32O/c1-3-4-5-6-7-8-9-10-12-17-20(18-21-2)19-15-13-11-14-16-19/h11,13-16,18H,3-10,12,17H2,1-2H3/b20-18-
InChIKeyTZGCUWDVWODANG-ZZEZOPTASA-N
MW288.48 g/mol
LogP6.59
Rot. Bonds12

About [(Z)-1-methoxytridec-1-en-2-yl]benzene

[(Z)-1-methoxytridec-1-en-2-yl]benzene (PubChem CID 101375240) has the molecular formula C20H32O and a molecular weight of 288.48 g/mol. Its IUPAC name is [(Z)-1-methoxytridec-1-en-2-yl]benzene.

Molecular Properties

Compound Name[(Z)-1-methoxytridec-1-en-2-yl]benzene
PubChem CID101375240
Molecular FormulaC20H32O
Molecular Weight288.48 g/mol
Exact Mass288.25
IUPAC Name[(Z)-1-methoxytridec-1-en-2-yl]benzene
SMILESCCCCCCCCCCC/C(=C/OC)c1ccccc1
InChIInChI=1S/C20H32O/c1-3-4-5-6-7-8-9-10-12-17-20(18-21-2)19-15-13-11-14-16-19/h11,13-16,18H,3-10,12,17H2,1-2H3/b20-18-
InChIKeyTZGCUWDVWODANG-ZZEZOPTASA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.48
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 11672996
[(E)-hept-2-en-3-yl]benzene
CID 14568345
8-phenyltetradec-7-en-7-ylbenzene
CID 141438246
1-phenylheptadecan-1-one
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[(E)-4-phenyldec-3-enoxy]methylbenzene
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[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
(2-hexyl-1-iodo-4-phenyldeca-1,3-dienyl)-trimethylsilane
CID 71417747
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CID 141496906
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CID 6013511

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-methoxytridec-1-en-2-yl]benzene?
The IUPAC name of [(Z)-1-methoxytridec-1-en-2-yl]benzene (CID 101375240) is [(Z)-1-methoxytridec-1-en-2-yl]benzene.
What is the SMILES notation for [(Z)-1-methoxytridec-1-en-2-yl]benzene?
The canonical SMILES for [(Z)-1-methoxytridec-1-en-2-yl]benzene is CCCCCCCCCCC/C(=C/OC)c1ccccc1.
What is the InChIKey of [(Z)-1-methoxytridec-1-en-2-yl]benzene?
The InChIKey is TZGCUWDVWODANG-ZZEZOPTASA-N. The full InChI is InChI=1S/C20H32O/c1-3-4-5-6-7-8-9-10-12-17-20(18-21-2)19-15-13-11-14-16-19/h11,13-16,18H,3-10,12,17H2,1-2H3/b20-18-.
What are the key properties of [(Z)-1-methoxytridec-1-en-2-yl]benzene?
[(Z)-1-methoxytridec-1-en-2-yl]benzene has a molecular weight of 288.48 g/mol, XLogP of 6.59, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-methoxytridec-1-en-2-yl]benzene is sourced from PubChem (CID 101375240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).