(2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione

C19H24O2 — CID 126606796

IUPAC(2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione
SMILESC=C/C1=C(\C=C(/C)CC)C(=O)C(C)/C=C\C=C/C(C)C1=O
InChIInChI=1S/C19H24O2/c1-6-13(3)12-17-16(7-2)18(20)14(4)10-8-9-11-15(5)19(17)21/h7-12,14-15H,2,6H2,1,3-5H3/b10-8-,11-9-,13-12+,17-16-
InChIKeyWPGRDDPEIYAVMQ-JTAZNWDISA-N
MW284.40 g/mol
LogP4.36
Rot. Bonds3

About (2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione

(2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione (PubChem CID 126606796) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione.

Molecular Properties

Compound Name(2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione
PubChem CID126606796
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione
SMILESC=C/C1=C(\C=C(/C)CC)C(=O)C(C)/C=C\C=C/C(C)C1=O
InChIInChI=1S/C19H24O2/c1-6-13(3)12-17-16(7-2)18(20)14(4)10-8-9-11-15(5)19(17)21/h7-12,14-15H,2,6H2,1,3-5H3/b10-8-,11-9-,13-12+,17-16-
InChIKeyWPGRDDPEIYAVMQ-JTAZNWDISA-N
XLogP4.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione?
The IUPAC name of (2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione (CID 126606796) is (2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione.
What is the SMILES notation for (2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione?
The canonical SMILES for (2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione is C=C/C1=C(\C=C(/C)CC)C(=O)C(C)/C=C\C=C/C(C)C1=O.
What is the InChIKey of (2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione?
The InChIKey is WPGRDDPEIYAVMQ-JTAZNWDISA-N. The full InChI is InChI=1S/C19H24O2/c1-6-13(3)12-17-16(7-2)18(20)14(4)10-8-9-11-15(5)19(17)21/h7-12,14-15H,2,6H2,1,3-5H3/b10-8-,11-9-,13-12+,17-16-.
What are the key properties of (2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione?
(2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione has a molecular weight of 284.40 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6Z,8Z)-2-ethenyl-5,10-dimethyl-3-[(E)-2-methylbut-1-enyl]cyclodeca-2,6,8-triene-1,4-dione is sourced from PubChem (CID 126606796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).