4-methoxy-2,3-dimethylideneoxan-4-ol

C8H12O3 — CID 90765534

IUPAC4-methoxy-2,3-dimethylideneoxan-4-ol
SMILESC=C1OCCC(O)(OC)C1=C
InChIInChI=1S/C8H12O3/c1-6-7(2)11-5-4-8(6,9)10-3/h9H,1-2,4-5H2,3H3
InChIKeyDHKFPWZCFHQKSA-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.81
Rot. Bonds1

About 4-methoxy-2,3-dimethylideneoxan-4-ol

4-methoxy-2,3-dimethylideneoxan-4-ol (PubChem CID 90765534) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-methoxy-2,3-dimethylideneoxan-4-ol.

Molecular Properties

Compound Name4-methoxy-2,3-dimethylideneoxan-4-ol
PubChem CID90765534
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-methoxy-2,3-dimethylideneoxan-4-ol
SMILESC=C1OCCC(O)(OC)C1=C
InChIInChI=1S/C8H12O3/c1-6-7(2)11-5-4-8(6,9)10-3/h9H,1-2,4-5H2,3H3
InChIKeyDHKFPWZCFHQKSA-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
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 4-methoxy-2,3-dimethylideneoxan-4-ol?
The IUPAC name of 4-methoxy-2,3-dimethylideneoxan-4-ol (CID 90765534) is 4-methoxy-2,3-dimethylideneoxan-4-ol.
What is the SMILES notation for 4-methoxy-2,3-dimethylideneoxan-4-ol?
The canonical SMILES for 4-methoxy-2,3-dimethylideneoxan-4-ol is C=C1OCCC(O)(OC)C1=C.
What is the InChIKey of 4-methoxy-2,3-dimethylideneoxan-4-ol?
The InChIKey is DHKFPWZCFHQKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-6-7(2)11-5-4-8(6,9)10-3/h9H,1-2,4-5H2,3H3.
What are the key properties of 4-methoxy-2,3-dimethylideneoxan-4-ol?
4-methoxy-2,3-dimethylideneoxan-4-ol has a molecular weight of 156.18 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,3-dimethylideneoxan-4-ol is sourced from PubChem (CID 90765534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).