12-propylpentadecane-1,12-diol

C18H38O2 — CID 146590856

IUPAC12-propylpentadecane-1,12-diol
SMILESCCCC(O)(CCC)CCCCCCCCCCCO
InChIInChI=1S/C18H38O2/c1-3-14-18(20,15-4-2)16-12-10-8-6-5-7-9-11-13-17-19/h19-20H,3-17H2,1-2H3
InChIKeyOEFMWMDEGXRAMT-UHFFFAOYSA-N
MW286.50 g/mol
LogP5.21
Rot. Bonds15

About 12-propylpentadecane-1,12-diol

12-propylpentadecane-1,12-diol (PubChem CID 146590856) has the molecular formula C18H38O2 and a molecular weight of 286.50 g/mol. Its IUPAC name is 12-propylpentadecane-1,12-diol.

Molecular Properties

Compound Name12-propylpentadecane-1,12-diol
PubChem CID146590856
Molecular FormulaC18H38O2
Molecular Weight286.50 g/mol
Exact Mass286.29
IUPAC Name12-propylpentadecane-1,12-diol
SMILESCCCC(O)(CCC)CCCCCCCCCCCO
InChIInChI=1S/C18H38O2/c1-3-14-18(20,15-4-2)16-12-10-8-6-5-7-9-11-13-17-19/h19-20H,3-17H2,1-2H3
InChIKeyOEFMWMDEGXRAMT-UHFFFAOYSA-N
XLogP5.21
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-decyltetradecane-1,4-diol
CID 170650453
5-ethylnonane-1,5-diol
CID 87121663
3-propyloctane-1,3-diol
CID 88923981
2-heptylhexane-1,2,6-triol
CID 22481106
2-propyloctane-1,2-diol
CID 88923937
7-hexylhexadecan-7-ol
CID 141253911
9-octyloctadecan-9-ol
CID 150674168
7-pentylpentadecan-7-ol
CID 12913436
3-butyldecane-1,3-diol
CID 88924042
octane-1,5,5-triol
CID 173445302
hexane-1,6-diol;hexane-1,1,1-triol
CID 157140368
4,4-dibutyldodecan-1-ol
CID 87374441

Frequently Asked Questions

What is the IUPAC name of 12-propylpentadecane-1,12-diol?
The IUPAC name of 12-propylpentadecane-1,12-diol (CID 146590856) is 12-propylpentadecane-1,12-diol.
What is the SMILES notation for 12-propylpentadecane-1,12-diol?
The canonical SMILES for 12-propylpentadecane-1,12-diol is CCCC(O)(CCC)CCCCCCCCCCCO.
What is the InChIKey of 12-propylpentadecane-1,12-diol?
The InChIKey is OEFMWMDEGXRAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O2/c1-3-14-18(20,15-4-2)16-12-10-8-6-5-7-9-11-13-17-19/h19-20H,3-17H2,1-2H3.
What are the key properties of 12-propylpentadecane-1,12-diol?
12-propylpentadecane-1,12-diol has a molecular weight of 286.50 g/mol, XLogP of 5.21, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-propylpentadecane-1,12-diol is sourced from PubChem (CID 146590856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).