1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene

C23H38O2 — CID 11100081

IUPAC1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene
SMILESCCCC/C=C\CCCCCCCCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C23H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24-2)20-23(19-21)25-3/h7-8,18-20H,4-6,9-17H2,1-3H3/b8-7-
InChIKeyVNUMDBCQWDYHOF-FPLPWBNLSA-N
MW346.56 g/mol
LogP7.11
Rot. Bonds15

About 1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene

1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene (PubChem CID 11100081) has the molecular formula C23H38O2 and a molecular weight of 346.56 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene
PubChem CID11100081
Molecular FormulaC23H38O2
Molecular Weight346.56 g/mol
Exact Mass346.29
IUPAC Name1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene
SMILESCCCC/C=C\CCCCCCCCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C23H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24-2)20-23(19-21)25-3/h7-8,18-20H,4-6,9-17H2,1-3H3/b8-7-
InChIKeyVNUMDBCQWDYHOF-FPLPWBNLSA-N
XLogP7.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Pterostilbene
CID 5281727
(+-)-Cannabichromene
CID 30219
Elemicin
CID 10248
3-Methoxytoluene
CID 7530
3-Methoxy-5-Methylphenol
CID 76674
Trismethoxyresveratrol
CID 5388063
Pinostilbene
CID 5473050
Pinosylvin monomethyl ether
CID 5281719
3,5-Dimethoxytoluene
CID 77844
2,3',4,5'-Tetramethoxystilbene
CID 5354004
Batatasin Iii
CID 10466989
Isoelemicin
CID 5318557

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene?
The IUPAC name of 1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene (CID 11100081) is 1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene is CCCC/C=C\CCCCCCCCCc1cc(OC)cc(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene?
The InChIKey is VNUMDBCQWDYHOF-FPLPWBNLSA-N. The full InChI is InChI=1S/C23H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24-2)20-23(19-21)25-3/h7-8,18-20H,4-6,9-17H2,1-3H3/b8-7-.
What are the key properties of 1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene?
1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene has a molecular weight of 346.56 g/mol, XLogP of 7.11, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-[(Z)-pentadec-10-enyl]benzene is sourced from PubChem (CID 11100081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).