1-methyl-4-tridec-12-enoxybenzene

C20H32O — CID 139447523

IUPAC1-methyl-4-tridec-12-enoxybenzene
SMILESC=CCCCCCCCCCCCOc1ccc(C)cc1
InChIInChI=1S/C20H32O/c1-3-4-5-6-7-8-9-10-11-12-13-18-21-20-16-14-19(2)15-17-20/h3,14-17H,1,4-13,18H2,2H3
InChIKeyHJHZGGDGMPRWBR-UHFFFAOYSA-N
MW288.47 g/mol
LogP6.46
Rot. Bonds13

About 1-methyl-4-tridec-12-enoxybenzene

1-methyl-4-tridec-12-enoxybenzene (PubChem CID 139447523) has the molecular formula C20H32O and a molecular weight of 288.47 g/mol. Its IUPAC name is 1-methyl-4-tridec-12-enoxybenzene.

Molecular Properties

Compound Name1-methyl-4-tridec-12-enoxybenzene
PubChem CID139447523
Molecular FormulaC20H32O
Molecular Weight288.47 g/mol
Exact Mass288.25
IUPAC Name1-methyl-4-tridec-12-enoxybenzene
SMILESC=CCCCCCCCCCCCOc1ccc(C)cc1
InChIInChI=1S/C20H32O/c1-3-4-5-6-7-8-9-10-11-12-13-18-21-20-16-14-19(2)15-17-20/h3,14-17H,1,4-13,18H2,2H3
InChIKeyHJHZGGDGMPRWBR-UHFFFAOYSA-N
XLogP6.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.47
LogP ≤ 56.46
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-4-oct-7-enoxybenzene
CID 158431404
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1-undec-10-enoxy-4-[(4-undec-10-enoxyphenyl)methyl]benzene
CID 132933254
5-hex-5-enyl-2-[6-(4-methylphenoxy)hexoxy]pyridine
CID 59498887
1-ethenyl-4-hex-5-enoxybenzene
CID 86167911
1-(4-hept-6-enoxyphenyl)ethanamine
CID 107006007
(4-non-8-enoxyphenyl)boronic acid
CID 142423597
1-(6-methoxyhexoxy)-4-methylbenzene
CID 71108625
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
3,5-bis(4-undec-10-enoxyphenyl)benzaldehyde
CID 102474145
1-(4-hept-6-enoxyphenyl)propan-1-amine
CID 107006008
4-undec-10-enoxybenzoate
CID 7009276

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-tridec-12-enoxybenzene?
The IUPAC name of 1-methyl-4-tridec-12-enoxybenzene (CID 139447523) is 1-methyl-4-tridec-12-enoxybenzene.
What is the SMILES notation for 1-methyl-4-tridec-12-enoxybenzene?
The canonical SMILES for 1-methyl-4-tridec-12-enoxybenzene is C=CCCCCCCCCCCCOc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-tridec-12-enoxybenzene?
The InChIKey is HJHZGGDGMPRWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O/c1-3-4-5-6-7-8-9-10-11-12-13-18-21-20-16-14-19(2)15-17-20/h3,14-17H,1,4-13,18H2,2H3.
What are the key properties of 1-methyl-4-tridec-12-enoxybenzene?
1-methyl-4-tridec-12-enoxybenzene has a molecular weight of 288.47 g/mol, XLogP of 6.46, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-tridec-12-enoxybenzene is sourced from PubChem (CID 139447523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).