8-carbamoyldodeca-5,7-dien-5-yl formate

C14H23NO3 — CID 58120527

IUPAC8-carbamoyldodeca-5,7-dien-5-yl formate
SMILESCCCCC(=CC=C(CCCC)C(N)=O)OC=O
InChIInChI=1S/C14H23NO3/c1-3-5-7-12(14(15)17)9-10-13(18-11-16)8-6-4-2/h9-11H,3-8H2,1-2H3,(H2,15,17)
InChIKeyMIHSMVWFKZAKQM-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.84
Rot. Bonds10

About 8-carbamoyldodeca-5,7-dien-5-yl formate

8-carbamoyldodeca-5,7-dien-5-yl formate (PubChem CID 58120527) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 8-carbamoyldodeca-5,7-dien-5-yl formate.

Molecular Properties

Compound Name8-carbamoyldodeca-5,7-dien-5-yl formate
PubChem CID58120527
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name8-carbamoyldodeca-5,7-dien-5-yl formate
SMILESCCCCC(=CC=C(CCCC)C(N)=O)OC=O
InChIInChI=1S/C14H23NO3/c1-3-5-7-12(14(15)17)9-10-13(18-11-16)8-6-4-2/h9-11H,3-8H2,1-2H3,(H2,15,17)
InChIKeyMIHSMVWFKZAKQM-UHFFFAOYSA-N
XLogP2.84
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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formyl docosanoate
CID 87130713
formyl heptanoate
CID 57242473
2-octadecylbut-2-enediamide
CID 73412414
(Z)-2-tetradecylbut-2-enediamide
CID 174956271
prop-1-enyl 2-ethylidenehexanoate
CID 141345152
potassium;formyl dodecanoate;hydride
CID 173298306
2-dodecylpentadec-2-enamide
CID 173002797
3-hydroxyhept-2-enamide
CID 148738032
acetamide;pentanamide
CID 158041283

Frequently Asked Questions

What is the IUPAC name of 8-carbamoyldodeca-5,7-dien-5-yl formate?
The IUPAC name of 8-carbamoyldodeca-5,7-dien-5-yl formate (CID 58120527) is 8-carbamoyldodeca-5,7-dien-5-yl formate.
What is the SMILES notation for 8-carbamoyldodeca-5,7-dien-5-yl formate?
The canonical SMILES for 8-carbamoyldodeca-5,7-dien-5-yl formate is CCCCC(=CC=C(CCCC)C(N)=O)OC=O.
What is the InChIKey of 8-carbamoyldodeca-5,7-dien-5-yl formate?
The InChIKey is MIHSMVWFKZAKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-3-5-7-12(14(15)17)9-10-13(18-11-16)8-6-4-2/h9-11H,3-8H2,1-2H3,(H2,15,17).
What are the key properties of 8-carbamoyldodeca-5,7-dien-5-yl formate?
8-carbamoyldodeca-5,7-dien-5-yl formate has a molecular weight of 253.34 g/mol, XLogP of 2.84, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-carbamoyldodeca-5,7-dien-5-yl formate is sourced from PubChem (CID 58120527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).