octan-2-yl prop-2-enyl carbonate

C12H22O3 — CID 13272702

IUPACoctan-2-yl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC(C)CCCCCC
InChIInChI=1S/C12H22O3/c1-4-6-7-8-9-11(3)15-12(13)14-10-5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyWMFFRVFXILRQAH-UHFFFAOYSA-N
MW214.30 g/mol
LogP3.68
Rot. Bonds8

About octan-2-yl prop-2-enyl carbonate

octan-2-yl prop-2-enyl carbonate (PubChem CID 13272702) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is octan-2-yl prop-2-enyl carbonate.

Molecular Properties

Compound Nameoctan-2-yl prop-2-enyl carbonate
PubChem CID13272702
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Nameoctan-2-yl prop-2-enyl carbonate
SMILESC=CCOC(=O)OC(C)CCCCCC
InChIInChI=1S/C12H22O3/c1-4-6-7-8-9-11(3)15-12(13)14-10-5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyWMFFRVFXILRQAH-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 53.68
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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Frequently Asked Questions

What is the IUPAC name of octan-2-yl prop-2-enyl carbonate?
The IUPAC name of octan-2-yl prop-2-enyl carbonate (CID 13272702) is octan-2-yl prop-2-enyl carbonate.
What is the SMILES notation for octan-2-yl prop-2-enyl carbonate?
The canonical SMILES for octan-2-yl prop-2-enyl carbonate is C=CCOC(=O)OC(C)CCCCCC.
What is the InChIKey of octan-2-yl prop-2-enyl carbonate?
The InChIKey is WMFFRVFXILRQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-4-6-7-8-9-11(3)15-12(13)14-10-5-2/h5,11H,2,4,6-10H2,1,3H3.
What are the key properties of octan-2-yl prop-2-enyl carbonate?
octan-2-yl prop-2-enyl carbonate has a molecular weight of 214.30 g/mol, XLogP of 3.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octan-2-yl prop-2-enyl carbonate is sourced from PubChem (CID 13272702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).