but-3-enyl pentadecyl carbonate

C20H38O3 — CID 91692457

IUPACbut-3-enyl pentadecyl carbonate
SMILESC=CCCOC(=O)OCCCCCCCCCCCCCCC
InChIInChI=1S/C20H38O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23-20(21)22-18-6-4-2/h4H,2-3,5-19H2,1H3
InChIKeyRLDBHLGVCSHTCE-UHFFFAOYSA-N
MW326.52 g/mol
LogP6.81
Rot. Bonds17

About but-3-enyl pentadecyl carbonate

but-3-enyl pentadecyl carbonate (PubChem CID 91692457) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is but-3-enyl pentadecyl carbonate.

Molecular Properties

Compound Namebut-3-enyl pentadecyl carbonate
PubChem CID91692457
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Namebut-3-enyl pentadecyl carbonate
SMILESC=CCCOC(=O)OCCCCCCCCCCCCCCC
InChIInChI=1S/C20H38O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23-20(21)22-18-6-4-2/h4H,2-3,5-19H2,1H3
InChIKeyRLDBHLGVCSHTCE-UHFFFAOYSA-N
XLogP6.81
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

heptyl octyl carbonate
CID 21498015
dioctyl carbonate
CID 174882674
hexyl undecyl carbonate
CID 87299622
hexadecyl hexyl carbonate
CID 87300395
azane;dioctyl carbonate
CID 174626203
bis[(E)-octadec-9-enyl] carbonate
CID 22342299
but-3-enyl heptanoate
CID 539056
butyl pentyl carbonate
CID 545576
5-butoxycarbonyloxypentyl butyl carbonate
CID 91694808
ethyl hex-5-enyl carbonate
CID 45140691
ethenyl undecyl carbonate
CID 91692931
ethyl heptadecyl carbonate
CID 6421524

Frequently Asked Questions

What is the IUPAC name of but-3-enyl pentadecyl carbonate?
The IUPAC name of but-3-enyl pentadecyl carbonate (CID 91692457) is but-3-enyl pentadecyl carbonate.
What is the SMILES notation for but-3-enyl pentadecyl carbonate?
The canonical SMILES for but-3-enyl pentadecyl carbonate is C=CCCOC(=O)OCCCCCCCCCCCCCCC.
What is the InChIKey of but-3-enyl pentadecyl carbonate?
The InChIKey is RLDBHLGVCSHTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19-23-20(21)22-18-6-4-2/h4H,2-3,5-19H2,1H3.
What are the key properties of but-3-enyl pentadecyl carbonate?
but-3-enyl pentadecyl carbonate has a molecular weight of 326.52 g/mol, XLogP of 6.81, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-3-enyl pentadecyl carbonate is sourced from PubChem (CID 91692457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).