1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol

C19H34O — CID 23569007

IUPAC1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)C1=CC=C(C)C1
InChIInChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-19(20)18-15-14-17(2)16-18/h14-15,19-20H,3-13,16H2,1-2H3
InChIKeyFQKWMKWMFSWXRH-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.93
Rot. Bonds12

About 1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol

1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol (PubChem CID 23569007) has the molecular formula C19H34O and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol.

Molecular Properties

Compound Name1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol
PubChem CID23569007
Molecular FormulaC19H34O
Molecular Weight278.48 g/mol
Exact Mass278.26
IUPAC Name1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol
SMILESCCCCCCCCCCCCC(O)C1=CC=C(C)C1
InChIInChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-19(20)18-15-14-17(2)16-18/h14-15,19-20H,3-13,16H2,1-2H3
InChIKeyFQKWMKWMFSWXRH-UHFFFAOYSA-N
XLogP5.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol?
The IUPAC name of 1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol (CID 23569007) is 1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol.
What is the SMILES notation for 1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol?
The canonical SMILES for 1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol is CCCCCCCCCCCCC(O)C1=CC=C(C)C1.
What is the InChIKey of 1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol?
The InChIKey is FQKWMKWMFSWXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O/c1-3-4-5-6-7-8-9-10-11-12-13-19(20)18-15-14-17(2)16-18/h14-15,19-20H,3-13,16H2,1-2H3.
What are the key properties of 1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol?
1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol has a molecular weight of 278.48 g/mol, XLogP of 5.93, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclopenta-1,3-dien-1-yl)tridecan-1-ol is sourced from PubChem (CID 23569007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).