1-heptadec-10-enyl-3,5-dimethoxybenzene

C25H42O2 — CID 85087989

IUPAC1-heptadec-10-enyl-3,5-dimethoxybenzene
SMILESCCCCCCC=CCCCCCCCCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C25H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26-2)22-25(21-23)27-3/h9-10,20-22H,4-8,11-19H2,1-3H3
InChIKeyRHNOVGQCBCXKQI-UHFFFAOYSA-N
MW374.61 g/mol
LogP7.89
Rot. Bonds17

About 1-heptadec-10-enyl-3,5-dimethoxybenzene

1-heptadec-10-enyl-3,5-dimethoxybenzene (PubChem CID 85087989) has the molecular formula C25H42O2 and a molecular weight of 374.61 g/mol. Its IUPAC name is 1-heptadec-10-enyl-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-heptadec-10-enyl-3,5-dimethoxybenzene
PubChem CID85087989
Molecular FormulaC25H42O2
Molecular Weight374.61 g/mol
Exact Mass374.32
IUPAC Name1-heptadec-10-enyl-3,5-dimethoxybenzene
SMILESCCCCCCC=CCCCCCCCCCc1cc(OC)cc(OC)c1
InChIInChI=1S/C25H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26-2)22-25(21-23)27-3/h9-10,20-22H,4-8,11-19H2,1-3H3
InChIKeyRHNOVGQCBCXKQI-UHFFFAOYSA-N
XLogP7.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 57.89
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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Frequently Asked Questions

What is the IUPAC name of 1-heptadec-10-enyl-3,5-dimethoxybenzene?
The IUPAC name of 1-heptadec-10-enyl-3,5-dimethoxybenzene (CID 85087989) is 1-heptadec-10-enyl-3,5-dimethoxybenzene.
What is the SMILES notation for 1-heptadec-10-enyl-3,5-dimethoxybenzene?
The canonical SMILES for 1-heptadec-10-enyl-3,5-dimethoxybenzene is CCCCCCC=CCCCCCCCCCc1cc(OC)cc(OC)c1.
What is the InChIKey of 1-heptadec-10-enyl-3,5-dimethoxybenzene?
The InChIKey is RHNOVGQCBCXKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26-2)22-25(21-23)27-3/h9-10,20-22H,4-8,11-19H2,1-3H3.
What are the key properties of 1-heptadec-10-enyl-3,5-dimethoxybenzene?
1-heptadec-10-enyl-3,5-dimethoxybenzene has a molecular weight of 374.61 g/mol, XLogP of 7.89, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptadec-10-enyl-3,5-dimethoxybenzene is sourced from PubChem (CID 85087989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).