11-hydroxyheptadecyl formate

C18H36O3 — CID 135177819

IUPAC11-hydroxyheptadecyl formate
SMILESCCCCCCC(O)CCCCCCCCCCOC=O
InChIInChI=1S/C18H36O3/c1-2-3-4-11-14-18(20)15-12-9-7-5-6-8-10-13-16-21-17-19/h17-18,20H,2-16H2,1H3
InChIKeyFGZRHWURORZKCS-UHFFFAOYSA-N
MW300.48 g/mol
LogP5.00
Rot. Bonds17

About 11-hydroxyheptadecyl formate

11-hydroxyheptadecyl formate (PubChem CID 135177819) has the molecular formula C18H36O3 and a molecular weight of 300.48 g/mol. Its IUPAC name is 11-hydroxyheptadecyl formate.

Molecular Properties

Compound Name11-hydroxyheptadecyl formate
PubChem CID135177819
Molecular FormulaC18H36O3
Molecular Weight300.48 g/mol
Exact Mass300.27
IUPAC Name11-hydroxyheptadecyl formate
SMILESCCCCCCC(O)CCCCCCCCCCOC=O
InChIInChI=1S/C18H36O3/c1-2-3-4-11-14-18(20)15-12-9-7-5-6-8-10-13-16-21-17-19/h17-18,20H,2-16H2,1H3
InChIKeyFGZRHWURORZKCS-UHFFFAOYSA-N
XLogP5.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxyoctyl formate
CID 134918328
hexacosyl formate
CID 87446465
(11-formyloxy-6-hydroxyundecyl) 2,2-bis(heptylsulfanyl)acetate
CID 174247069
decyl formate;hydrochloride
CID 174405844
CID 162323226
CID 162323226
12-(7-hydroxydodecoxy)dodecan-6-ol
CID 90689628
potassium;hydride;pentyl formate
CID 173073840
icosan-9-ol
CID 11983377
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437

Frequently Asked Questions

What is the IUPAC name of 11-hydroxyheptadecyl formate?
The IUPAC name of 11-hydroxyheptadecyl formate (CID 135177819) is 11-hydroxyheptadecyl formate.
What is the SMILES notation for 11-hydroxyheptadecyl formate?
The canonical SMILES for 11-hydroxyheptadecyl formate is CCCCCCC(O)CCCCCCCCCCOC=O.
What is the InChIKey of 11-hydroxyheptadecyl formate?
The InChIKey is FGZRHWURORZKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O3/c1-2-3-4-11-14-18(20)15-12-9-7-5-6-8-10-13-16-21-17-19/h17-18,20H,2-16H2,1H3.
What are the key properties of 11-hydroxyheptadecyl formate?
11-hydroxyheptadecyl formate has a molecular weight of 300.48 g/mol, XLogP of 5.00, 17 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxyheptadecyl formate is sourced from PubChem (CID 135177819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).