(5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene

C18H24 — CID 174151451

IUPAC(5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC/C=C\c1c(C)c(C)c(/C=C\C)c(=C/C)/c1=C\C
InChIInChI=1S/C18H24/c1-7-11-17-13(5)14(6)18(12-8-2)16(10-4)15(17)9-3/h7-12H,1-6H3/b11-7-,12-8-,15-9+,16-10+
InChIKeyFITWXXWVCATVJN-YYCOEQOXSA-N
MW240.39 g/mol
LogP3.97
Rot. Bonds2

About (5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene

(5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene (PubChem CID 174151451) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is (5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene
PubChem CID174151451
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name(5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene
SMILESC/C=C\c1c(C)c(C)c(/C=C\C)c(=C/C)/c1=C\C
InChIInChI=1S/C18H24/c1-7-11-17-13(5)14(6)18(12-8-2)16(10-4)15(17)9-3/h7-12H,1-6H3/b11-7-,12-8-,15-9+,16-10+
InChIKeyFITWXXWVCATVJN-YYCOEQOXSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Lycopene
CID 446925
Myrcene
CID 31253
Farnesene
CID 5281516
beta-Farnesene
CID 5281517
Phytoene
CID 5280784
All-Trans-Phytofluene
CID 6436722
1-Methylcyclohexa-1,3-diene
CID 121731
1,3,5-Undecatriene
CID 61832
(3E,5E)-1,3,5-Undecatriene
CID 5367412
Vinylcyclohexene
CID 17497
Isoterpinolene
CID 102443
1,3,5-Undecatriene, (3E,5Z)-
CID 5352367

Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
The IUPAC name of (5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene (CID 174151451) is (5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene.
What is the SMILES notation for (5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
The canonical SMILES for (5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene is C/C=C\c1c(C)c(C)c(/C=C\C)c(=C/C)/c1=C\C.
What is the InChIKey of (5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
The InChIKey is FITWXXWVCATVJN-YYCOEQOXSA-N. The full InChI is InChI=1S/C18H24/c1-7-11-17-13(5)14(6)18(12-8-2)16(10-4)15(17)9-3/h7-12H,1-6H3/b11-7-,12-8-,15-9+,16-10+.
What are the key properties of (5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene?
(5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene has a molecular weight of 240.39 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5,6-di(ethylidene)-2,3-dimethyl-1,4-bis[(Z)-prop-1-enyl]cyclohexa-1,3-diene is sourced from PubChem (CID 174151451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).