[(10S)-tricos-6-yn-10-yl] formate

C24H44O2 — CID 101000921

IUPAC[(10S)-tricos-6-yn-10-yl] formate
SMILESCCCCCC#CCC[C@H](CCCCCCCCCCCCC)OC=O
InChIInChI=1S/C24H44O2/c1-3-5-7-9-11-12-13-14-16-18-20-22-24(26-23-25)21-19-17-15-10-8-6-4-2/h23-24H,3-14,16,18-22H2,1-2H3/t24-/m1/s1
InChIKeyCKGFRUCLMWLYAW-XMMPIXPASA-N
MW364.61 g/mol
LogP7.59
Rot. Bonds19

About [(10S)-tricos-6-yn-10-yl] formate

[(10S)-tricos-6-yn-10-yl] formate (PubChem CID 101000921) has the molecular formula C24H44O2 and a molecular weight of 364.61 g/mol. Its IUPAC name is [(10S)-tricos-6-yn-10-yl] formate.

Molecular Properties

Compound Name[(10S)-tricos-6-yn-10-yl] formate
PubChem CID101000921
Molecular FormulaC24H44O2
Molecular Weight364.61 g/mol
Exact Mass364.33
IUPAC Name[(10S)-tricos-6-yn-10-yl] formate
SMILESCCCCCC#CCC[C@H](CCCCCCCCCCCCC)OC=O
InChIInChI=1S/C24H44O2/c1-3-5-7-9-11-12-13-14-16-18-20-22-24(26-23-25)21-19-17-15-10-8-6-4-2/h23-24H,3-14,16,18-22H2,1-2H3/t24-/m1/s1
InChIKeyCKGFRUCLMWLYAW-XMMPIXPASA-N
XLogP7.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.61
LogP ≤ 57.59
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

octadecan-8-yl formate
CID 171797323
hexatriacontan-18-yl formate
CID 144696165
1-ethoxydecan-3-yl formate
CID 173324667
[(2S,6R)-2-hydroxyundecan-6-yl] formate
CID 23230297
tetratriaconta-3,6,25,28-tetraen-16-yl formate
CID 91592372
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
henicos-8-yne
CID 22224321
1-aminooctyl formate
CID 174824755
1-hydroxyoctyl formate
CID 54104225
[(3R)-1-ethoxy-1-sulfanylidenetetradecan-3-yl] formate
CID 118524265
pentadec-4-ynal
CID 15530597

Frequently Asked Questions

What is the IUPAC name of [(10S)-tricos-6-yn-10-yl] formate?
The IUPAC name of [(10S)-tricos-6-yn-10-yl] formate (CID 101000921) is [(10S)-tricos-6-yn-10-yl] formate.
What is the SMILES notation for [(10S)-tricos-6-yn-10-yl] formate?
The canonical SMILES for [(10S)-tricos-6-yn-10-yl] formate is CCCCCC#CCC[C@H](CCCCCCCCCCCCC)OC=O.
What is the InChIKey of [(10S)-tricos-6-yn-10-yl] formate?
The InChIKey is CKGFRUCLMWLYAW-XMMPIXPASA-N. The full InChI is InChI=1S/C24H44O2/c1-3-5-7-9-11-12-13-14-16-18-20-22-24(26-23-25)21-19-17-15-10-8-6-4-2/h23-24H,3-14,16,18-22H2,1-2H3/t24-/m1/s1.
What are the key properties of [(10S)-tricos-6-yn-10-yl] formate?
[(10S)-tricos-6-yn-10-yl] formate has a molecular weight of 364.61 g/mol, XLogP of 7.59, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(10S)-tricos-6-yn-10-yl] formate is sourced from PubChem (CID 101000921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).