(9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione

C19H30O2 — CID 69342863

IUPAC(9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione
SMILESC=CCC1CC/C=C\CCCCCCC(=O)CCCC1=O
InChIInChI=1S/C19H30O2/c1-2-12-17-13-9-7-5-3-4-6-8-10-14-18(20)15-11-16-19(17)21/h2,5,7,17H,1,3-4,6,8-16H2/b7-5-
InChIKeyDOQCYYXDLBURSS-ALCCZGGFSA-N
MW290.45 g/mol
LogP5.18
Rot. Bonds2

About (9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione

(9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione (PubChem CID 69342863) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is (9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione.

Molecular Properties

Compound Name(9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione
PubChem CID69342863
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name(9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione
SMILESC=CCC1CC/C=C\CCCCCCC(=O)CCCC1=O
InChIInChI=1S/C19H30O2/c1-2-12-17-13-9-7-5-3-4-6-8-10-14-18(20)15-11-16-19(17)21/h2,5,7,17H,1,3-4,6,8-16H2/b7-5-
InChIKeyDOQCYYXDLBURSS-ALCCZGGFSA-N
XLogP5.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione?
The IUPAC name of (9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione (CID 69342863) is (9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione.
What is the SMILES notation for (9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione?
The canonical SMILES for (9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione is C=CCC1CC/C=C\CCCCCCC(=O)CCCC1=O.
What is the InChIKey of (9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione?
The InChIKey is DOQCYYXDLBURSS-ALCCZGGFSA-N. The full InChI is InChI=1S/C19H30O2/c1-2-12-17-13-9-7-5-3-4-6-8-10-14-18(20)15-11-16-19(17)21/h2,5,7,17H,1,3-4,6,8-16H2/b7-5-.
What are the key properties of (9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione?
(9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione has a molecular weight of 290.45 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-6-prop-2-enylcyclohexadec-9-ene-1,5-dione is sourced from PubChem (CID 69342863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).