hept-1-en-3-yl prop-2-enyl carbonate

C11H18O3 — CID 164579341

IUPAChept-1-en-3-yl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC(C=C)CCCC
InChIInChI=1S/C11H18O3/c1-4-7-8-10(6-3)14-11(12)13-9-5-2/h5-6,10H,2-4,7-9H2,1H3
InChIKeyFRJBVBNAWJTYLZ-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.07
Rot. Bonds7

About hept-1-en-3-yl prop-2-enyl carbonate

hept-1-en-3-yl prop-2-enyl carbonate (PubChem CID 164579341) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is hept-1-en-3-yl prop-2-enyl carbonate.

Molecular Properties

Compound Namehept-1-en-3-yl prop-2-enyl carbonate
PubChem CID164579341
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namehept-1-en-3-yl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC(C=C)CCCC
InChIInChI=1S/C11H18O3/c1-4-7-8-10(6-3)14-11(12)13-9-5-2/h5-6,10H,2-4,7-9H2,1H3
InChIKeyFRJBVBNAWJTYLZ-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hept-1-en-3-yl prop-2-enyl carbonate?
The IUPAC name of hept-1-en-3-yl prop-2-enyl carbonate (CID 164579341) is hept-1-en-3-yl prop-2-enyl carbonate.
What is the SMILES notation for hept-1-en-3-yl prop-2-enyl carbonate?
The canonical SMILES for hept-1-en-3-yl prop-2-enyl carbonate is C=CCOC(=O)OC(C=C)CCCC.
What is the InChIKey of hept-1-en-3-yl prop-2-enyl carbonate?
The InChIKey is FRJBVBNAWJTYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-4-7-8-10(6-3)14-11(12)13-9-5-2/h5-6,10H,2-4,7-9H2,1H3.
What are the key properties of hept-1-en-3-yl prop-2-enyl carbonate?
hept-1-en-3-yl prop-2-enyl carbonate has a molecular weight of 198.26 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hept-1-en-3-yl prop-2-enyl carbonate is sourced from PubChem (CID 164579341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).