8,9-dihydroxynon-1-en-3-yl methyl carbonate

C11H20O5 — CID 14142039

IUPAC8,9-dihydroxynon-1-en-3-yl methyl carbonate
SMILESC=CC(CCCCC(O)CO)OC(=O)OC
InChIInChI=1S/C11H20O5/c1-3-10(16-11(14)15-2)7-5-4-6-9(13)8-12/h3,9-10,12-13H,1,4-8H2,2H3
InChIKeyCPZPQUPLBFAESX-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.24
Rot. Bonds8

About 8,9-dihydroxynon-1-en-3-yl methyl carbonate

8,9-dihydroxynon-1-en-3-yl methyl carbonate (PubChem CID 14142039) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 8,9-dihydroxynon-1-en-3-yl methyl carbonate.

Molecular Properties

Compound Name8,9-dihydroxynon-1-en-3-yl methyl carbonate
PubChem CID14142039
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name8,9-dihydroxynon-1-en-3-yl methyl carbonate
SMILESC=CC(CCCCC(O)CO)OC(=O)OC
InChIInChI=1S/C11H20O5/c1-3-10(16-11(14)15-2)7-5-4-6-9(13)8-12/h3,9-10,12-13H,1,4-8H2,2H3
InChIKeyCPZPQUPLBFAESX-UHFFFAOYSA-N
XLogP1.24
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Methyl non-1-en-3-yl carbonate
CID 102291111
(4S,5S)-5-(2-methoxyethoxymethoxy)undec-1-en-4-ol
CID 11346374
3-(Methoxymethoxy)oct-1-en-4-ol
CID 13025034
[(E)-12-hydroxy-1-methoxycarbonyloxydodec-2-en-4-yl] methyl carbonate
CID 101616302
(2S,8S,11S)-8,11-bis(methoxymethoxy)tridec-12-en-2-ol
CID 134853342
3,3-Diethoxydec-1-en-4-ol
CID 134993188
Dec-1-en-3-yl methyl carbonate
CID 85541499
Methyl undec-1-en-3-yl carbonate
CID 86041216
6-Carboxyoxyoct-7-enyl ethenyl carbonate
CID 87570771
Ethyl undec-1-en-3-yl carbonate
CID 88058965
Icos-1-en-3-yl hydrogen carbonate
CID 88632120
Propan-2-yl undec-1-en-3-yl carbonate
CID 88928604

Frequently Asked Questions

What is the IUPAC name of 8,9-dihydroxynon-1-en-3-yl methyl carbonate?
The IUPAC name of 8,9-dihydroxynon-1-en-3-yl methyl carbonate (CID 14142039) is 8,9-dihydroxynon-1-en-3-yl methyl carbonate.
What is the SMILES notation for 8,9-dihydroxynon-1-en-3-yl methyl carbonate?
The canonical SMILES for 8,9-dihydroxynon-1-en-3-yl methyl carbonate is C=CC(CCCCC(O)CO)OC(=O)OC.
What is the InChIKey of 8,9-dihydroxynon-1-en-3-yl methyl carbonate?
The InChIKey is CPZPQUPLBFAESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-3-10(16-11(14)15-2)7-5-4-6-9(13)8-12/h3,9-10,12-13H,1,4-8H2,2H3.
What are the key properties of 8,9-dihydroxynon-1-en-3-yl methyl carbonate?
8,9-dihydroxynon-1-en-3-yl methyl carbonate has a molecular weight of 232.28 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydroxynon-1-en-3-yl methyl carbonate is sourced from PubChem (CID 14142039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).