4-heptadecylheptane-1,7-diol

C24H50O2 — CID 54374368

IUPAC4-heptadecylheptane-1,7-diol
SMILESCCCCCCCCCCCCCCCCCC(CCCO)CCCO
InChIInChI=1S/C24H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(20-17-22-25)21-18-23-26/h24-26H,2-23H2,1H3
InChIKeyWQRSWMARXSWXRN-UHFFFAOYSA-N
MW370.66 g/mol
LogP7.41
Rot. Bonds22

About 4-heptadecylheptane-1,7-diol

4-heptadecylheptane-1,7-diol (PubChem CID 54374368) has the molecular formula C24H50O2 and a molecular weight of 370.66 g/mol. Its IUPAC name is 4-heptadecylheptane-1,7-diol.

Molecular Properties

Compound Name4-heptadecylheptane-1,7-diol
PubChem CID54374368
Molecular FormulaC24H50O2
Molecular Weight370.66 g/mol
Exact Mass370.38
IUPAC Name4-heptadecylheptane-1,7-diol
SMILESCCCCCCCCCCCCCCCCCC(CCCO)CCCO
InChIInChI=1S/C24H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(20-17-22-25)21-18-23-26/h24-26H,2-23H2,1H3
InChIKeyWQRSWMARXSWXRN-UHFFFAOYSA-N
XLogP7.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.66
LogP ≤ 57.41
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

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CID 23212981
5-decylheptadecan-1-ol
CID 171774120
11-octylicosan-1-ol
CID 162349984
4-ethyltridecan-1-ol
CID 20550506
4-ethyldecan-1-ol
CID 91002231
3-octyldodecane-1,12-diol
CID 141481121
3-octyltridecan-1-ol
CID 13109029
3-pentylundecan-1-ol
CID 118576679
3-butyldodecan-1-ol
CID 118576685
3-butylundecan-1-ol
CID 13109026
20,26-di(heptadecyl)pentatetracontane
CID 102213068
7-pentylpentacosane
CID 91214353

Frequently Asked Questions

What is the IUPAC name of 4-heptadecylheptane-1,7-diol?
The IUPAC name of 4-heptadecylheptane-1,7-diol (CID 54374368) is 4-heptadecylheptane-1,7-diol.
What is the SMILES notation for 4-heptadecylheptane-1,7-diol?
The canonical SMILES for 4-heptadecylheptane-1,7-diol is CCCCCCCCCCCCCCCCCC(CCCO)CCCO.
What is the InChIKey of 4-heptadecylheptane-1,7-diol?
The InChIKey is WQRSWMARXSWXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24(20-17-22-25)21-18-23-26/h24-26H,2-23H2,1H3.
What are the key properties of 4-heptadecylheptane-1,7-diol?
4-heptadecylheptane-1,7-diol has a molecular weight of 370.66 g/mol, XLogP of 7.41, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptadecylheptane-1,7-diol is sourced from PubChem (CID 54374368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).