(2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol

C14H18O3 — CID 71085282

IUPAC(2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol
SMILESC=c1cc(OC)c(OC)c/c1=C(/C=CC)CO
InChIInChI=1S/C14H18O3/c1-5-6-11(9-15)12-8-14(17-4)13(16-3)7-10(12)2/h5-8,15H,2,9H2,1,3-4H3/b6-5?,12-11+
InChIKeyRBQMGZVSTPOWRK-AVDZJNMPSA-N
MW234.29 g/mol
LogP0.83
Rot. Bonds4

About (2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol

(2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol (PubChem CID 71085282) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is (2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol.

Molecular Properties

Compound Name(2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol
PubChem CID71085282
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name(2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol
SMILESC=c1cc(OC)c(OC)c/c1=C(/C=CC)CO
InChIInChI=1S/C14H18O3/c1-5-6-11(9-15)12-8-14(17-4)13(16-3)7-10(12)2/h5-8,15H,2,9H2,1,3-4H3/b6-5?,12-11+
InChIKeyRBQMGZVSTPOWRK-AVDZJNMPSA-N
XLogP0.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol?
The IUPAC name of (2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol (CID 71085282) is (2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol.
What is the SMILES notation for (2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol?
The canonical SMILES for (2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol is C=c1cc(OC)c(OC)c/c1=C(/C=CC)CO.
What is the InChIKey of (2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol?
The InChIKey is RBQMGZVSTPOWRK-AVDZJNMPSA-N. The full InChI is InChI=1S/C14H18O3/c1-5-6-11(9-15)12-8-14(17-4)13(16-3)7-10(12)2/h5-8,15H,2,9H2,1,3-4H3/b6-5?,12-11+.
What are the key properties of (2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol?
(2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol has a molecular weight of 234.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(3,4-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)pent-3-en-1-ol is sourced from PubChem (CID 71085282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).