7-pentylpentadecan-7-ol

C20H42O — CID 12913436

IUPAC7-pentylpentadecan-7-ol
SMILESCCCCCCCCC(O)(CCCCC)CCCCCC
InChIInChI=1S/C20H42O/c1-4-7-10-12-13-16-19-20(21,17-14-9-6-3)18-15-11-8-5-2/h21H,4-19H2,1-3H3
InChIKeyRKGUTOMSUJMSKM-UHFFFAOYSA-N
MW298.56 g/mol
LogP7.02
Rot. Bonds16

About 7-pentylpentadecan-7-ol

7-pentylpentadecan-7-ol (PubChem CID 12913436) has the molecular formula C20H42O and a molecular weight of 298.56 g/mol. Its IUPAC name is 7-pentylpentadecan-7-ol.

Molecular Properties

Compound Name7-pentylpentadecan-7-ol
PubChem CID12913436
Molecular FormulaC20H42O
Molecular Weight298.56 g/mol
Exact Mass298.32
IUPAC Name7-pentylpentadecan-7-ol
SMILESCCCCCCCCC(O)(CCCCC)CCCCCC
InChIInChI=1S/C20H42O/c1-4-7-10-12-13-16-19-20(21,17-14-9-6-3)18-15-11-8-5-2/h21H,4-19H2,1-3H3
InChIKeyRKGUTOMSUJMSKM-UHFFFAOYSA-N
XLogP7.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 57.02
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 7-pentylpentadecan-7-ol?
The IUPAC name of 7-pentylpentadecan-7-ol (CID 12913436) is 7-pentylpentadecan-7-ol.
What is the SMILES notation for 7-pentylpentadecan-7-ol?
The canonical SMILES for 7-pentylpentadecan-7-ol is CCCCCCCCC(O)(CCCCC)CCCCCC.
What is the InChIKey of 7-pentylpentadecan-7-ol?
The InChIKey is RKGUTOMSUJMSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42O/c1-4-7-10-12-13-16-19-20(21,17-14-9-6-3)18-15-11-8-5-2/h21H,4-19H2,1-3H3.
What are the key properties of 7-pentylpentadecan-7-ol?
7-pentylpentadecan-7-ol has a molecular weight of 298.56 g/mol, XLogP of 7.02, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pentylpentadecan-7-ol is sourced from PubChem (CID 12913436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).