9-polanylicosan-1-ol

C20H42OPo — CID 175323783

IUPAC9-polanylicosan-1-ol
SMILESCCCCCCCCCCCC([PoH])CCCCCCCCO
InChIInChI=1S/C20H41O.Po.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;;/h12,21H,2-11,13-20H2,1H3;;
InChIKeyDLDYFMLXQTZMQI-UHFFFAOYSA-N
MW507.56 g/mol
LogP6.32
Rot. Bonds18

About 9-polanylicosan-1-ol

9-polanylicosan-1-ol (PubChem CID 175323783) has the molecular formula C20H42OPo and a molecular weight of 507.56 g/mol. Its IUPAC name is 9-polanylicosan-1-ol.

Molecular Properties

Compound Name9-polanylicosan-1-ol
PubChem CID175323783
Molecular FormulaC20H42OPo
Molecular Weight507.56 g/mol
Exact Mass507.31
IUPAC Name9-polanylicosan-1-ol
SMILESCCCCCCCCCCCC([PoH])CCCCCCCCO
InChIInChI=1S/C20H41O.Po.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;;/h12,21H,2-11,13-20H2,1H3;;
InChIKeyDLDYFMLXQTZMQI-UHFFFAOYSA-N
XLogP6.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 56.32
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

5-decylheptadecan-1-ol
CID 171774120
11-octylicosan-1-ol
CID 162349984
1-hydroxytricosan-11-ylazanium iodide
CID 89439401
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620
nonan-1-ol;tetradecan-1-ol
CID 174944242
hexan-1-ol;nonane
CID 175106830
decane;decan-1-ol
CID 22418527

Frequently Asked Questions

What is the IUPAC name of 9-polanylicosan-1-ol?
The IUPAC name of 9-polanylicosan-1-ol (CID 175323783) is 9-polanylicosan-1-ol.
What is the SMILES notation for 9-polanylicosan-1-ol?
The canonical SMILES for 9-polanylicosan-1-ol is CCCCCCCCCCCC([PoH])CCCCCCCCO.
What is the InChIKey of 9-polanylicosan-1-ol?
The InChIKey is DLDYFMLXQTZMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41O.Po.H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21;;/h12,21H,2-11,13-20H2,1H3;;.
What are the key properties of 9-polanylicosan-1-ol?
9-polanylicosan-1-ol has a molecular weight of 507.56 g/mol, XLogP of 6.32, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-polanylicosan-1-ol is sourced from PubChem (CID 175323783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).