7-hexylhexadecan-7-ol

C22H46O — CID 141253911

IUPAC7-hexylhexadecan-7-ol
SMILESCCCCCCCCCC(O)(CCCCCC)CCCCCC
InChIInChI=1S/C22H46O/c1-4-7-10-13-14-15-18-21-22(23,19-16-11-8-5-2)20-17-12-9-6-3/h23H,4-21H2,1-3H3
InChIKeyPWGRKFHNTCDRIQ-UHFFFAOYSA-N
MW326.61 g/mol
LogP7.80
Rot. Bonds18

About 7-hexylhexadecan-7-ol

7-hexylhexadecan-7-ol (PubChem CID 141253911) has the molecular formula C22H46O and a molecular weight of 326.61 g/mol. Its IUPAC name is 7-hexylhexadecan-7-ol.

Molecular Properties

Compound Name7-hexylhexadecan-7-ol
PubChem CID141253911
Molecular FormulaC22H46O
Molecular Weight326.61 g/mol
Exact Mass326.35
IUPAC Name7-hexylhexadecan-7-ol
SMILESCCCCCCCCCC(O)(CCCCCC)CCCCCC
InChIInChI=1S/C22H46O/c1-4-7-10-13-14-15-18-21-22(23,19-16-11-8-5-2)20-17-12-9-6-3/h23H,4-21H2,1-3H3
InChIKeyPWGRKFHNTCDRIQ-UHFFFAOYSA-N
XLogP7.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.61
LogP ≤ 57.80
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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Related Compounds

9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
4-decyltetradecane-1,4-diol
CID 170650453
9-ethylheptadecan-9-ol
CID 86166082
3-butyldecane-1,3-diol
CID 88924042
2-butyltetradecane-1,2-diol
CID 88924076
2-propyloctane-1,2-diol
CID 88923937
17-(aminomethyl)tritriacontan-17-ol
CID 87248679
3-propyloctane-1,3-diol
CID 88923981
2-heptylhexane-1,2,6-triol
CID 22481106
2-ethyltridecane-1,2-diol
CID 88923996
triacontane-1,1,1-triol
CID 87376487

Frequently Asked Questions

What is the IUPAC name of 7-hexylhexadecan-7-ol?
The IUPAC name of 7-hexylhexadecan-7-ol (CID 141253911) is 7-hexylhexadecan-7-ol.
What is the SMILES notation for 7-hexylhexadecan-7-ol?
The canonical SMILES for 7-hexylhexadecan-7-ol is CCCCCCCCCC(O)(CCCCCC)CCCCCC.
What is the InChIKey of 7-hexylhexadecan-7-ol?
The InChIKey is PWGRKFHNTCDRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46O/c1-4-7-10-13-14-15-18-21-22(23,19-16-11-8-5-2)20-17-12-9-6-3/h23H,4-21H2,1-3H3.
What are the key properties of 7-hexylhexadecan-7-ol?
7-hexylhexadecan-7-ol has a molecular weight of 326.61 g/mol, XLogP of 7.80, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hexylhexadecan-7-ol is sourced from PubChem (CID 141253911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).