(5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene

C15H20O3 — CID 126607637

IUPAC(5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene
SMILESC=C/C=c1/cccc/c1=C/CC(OC)(OC)OC
InChIInChI=1S/C15H20O3/c1-5-8-13-9-6-7-10-14(13)11-12-15(16-2,17-3)18-4/h5-11H,1,12H2,2-4H3/b13-8-,14-11-
InChIKeyGVJLBCQAVDXNBN-IPLJFLPMSA-N
MW248.32 g/mol
LogP1.42
Rot. Bonds6

About (5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene

(5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene (PubChem CID 126607637) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is (5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene
PubChem CID126607637
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name(5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene
SMILESC=C/C=c1/cccc/c1=C/CC(OC)(OC)OC
InChIInChI=1S/C15H20O3/c1-5-8-13-9-6-7-10-14(13)11-12-15(16-2,17-3)18-4/h5-11H,1,12H2,2-4H3/b13-8-,14-11-
InChIKeyGVJLBCQAVDXNBN-IPLJFLPMSA-N
XLogP1.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene?
The IUPAC name of (5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene (CID 126607637) is (5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene.
What is the SMILES notation for (5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene?
The canonical SMILES for (5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene is C=C/C=c1/cccc/c1=C/CC(OC)(OC)OC.
What is the InChIKey of (5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene?
The InChIKey is GVJLBCQAVDXNBN-IPLJFLPMSA-N. The full InChI is InChI=1S/C15H20O3/c1-5-8-13-9-6-7-10-14(13)11-12-15(16-2,17-3)18-4/h5-11H,1,12H2,2-4H3/b13-8-,14-11-.
What are the key properties of (5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene?
(5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene has a molecular weight of 248.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5-prop-2-enylidene-6-(3,3,3-trimethoxypropylidene)cyclohexa-1,3-diene is sourced from PubChem (CID 126607637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).