1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol

C9H14O3 — CID 123480180

IUPAC1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol
SMILESC=C(C=CC(=C)C(O)OC)OC
InChIInChI=1S/C9H14O3/c1-7(9(10)12-4)5-6-8(2)11-3/h5-6,9-10H,1-2H2,3-4H3
InChIKeyMWHRZGYMDXJWOL-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.22
Rot. Bonds5

About 1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol

1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol (PubChem CID 123480180) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol.

Molecular Properties

Compound Name1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol
PubChem CID123480180
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol
SMILESC=C(C=CC(=C)C(O)OC)OC
InChIInChI=1S/C9H14O3/c1-7(9(10)12-4)5-6-8(2)11-3/h5-6,9-10H,1-2H2,3-4H3
InChIKeyMWHRZGYMDXJWOL-UHFFFAOYSA-N
XLogP1.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol?
The IUPAC name of 1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol (CID 123480180) is 1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol.
What is the SMILES notation for 1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol?
The canonical SMILES for 1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol is C=C(C=CC(=C)C(O)OC)OC.
What is the InChIKey of 1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol?
The InChIKey is MWHRZGYMDXJWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-7(9(10)12-4)5-6-8(2)11-3/h5-6,9-10H,1-2H2,3-4H3.
What are the key properties of 1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol?
1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol has a molecular weight of 170.21 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethoxy-2-methylidenehexa-3,5-dien-1-ol is sourced from PubChem (CID 123480180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).