octadecan-8-yl formate

C19H38O2 — CID 171797323

IUPACoctadecan-8-yl formate
SMILESCCCCCCCCCCC(CCCCCCC)OC=O
InChIInChI=1S/C19H38O2/c1-3-5-7-9-10-11-13-15-17-19(21-18-20)16-14-12-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyDYZYPAUCVGRACA-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.42
Rot. Bonds17

About octadecan-8-yl formate

octadecan-8-yl formate (PubChem CID 171797323) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is octadecan-8-yl formate.

Molecular Properties

Compound Nameoctadecan-8-yl formate
PubChem CID171797323
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Nameoctadecan-8-yl formate
SMILESCCCCCCCCCCC(CCCCCCC)OC=O
InChIInChI=1S/C19H38O2/c1-3-5-7-9-10-11-13-15-17-19(21-18-20)16-14-12-8-6-4-2/h18-19H,3-17H2,1-2H3
InChIKeyDYZYPAUCVGRACA-UHFFFAOYSA-N
XLogP6.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

hexatriacontan-18-yl formate
CID 144696165
1-ethoxydecan-3-yl formate
CID 173324667
[(10S)-tricos-6-yn-10-yl] formate
CID 101000921
[(2S,6R)-2-hydroxyundecan-6-yl] formate
CID 23230297
tetratriaconta-3,6,25,28-tetraen-16-yl formate
CID 91592372
1-aminooctyl formate
CID 174824755
1-hydroxyoctyl formate
CID 54104225
[(3R)-1-ethoxy-1-sulfanylidenetetradecan-3-yl] formate
CID 118524265
3-methylundecan-4-yl formate
CID 23187921
oct-1-en-4-yl formate
CID 87501677
1-azidooctadecyl formate
CID 18522841
(3S)-3-methoxydecanal
CID 58437054

Frequently Asked Questions

What is the IUPAC name of octadecan-8-yl formate?
The IUPAC name of octadecan-8-yl formate (CID 171797323) is octadecan-8-yl formate.
What is the SMILES notation for octadecan-8-yl formate?
The canonical SMILES for octadecan-8-yl formate is CCCCCCCCCCC(CCCCCCC)OC=O.
What is the InChIKey of octadecan-8-yl formate?
The InChIKey is DYZYPAUCVGRACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-3-5-7-9-10-11-13-15-17-19(21-18-20)16-14-12-8-6-4-2/h18-19H,3-17H2,1-2H3.
What are the key properties of octadecan-8-yl formate?
octadecan-8-yl formate has a molecular weight of 298.51 g/mol, XLogP of 6.42, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octadecan-8-yl formate is sourced from PubChem (CID 171797323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).