(1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol

C11H16O2 — CID 142170896

IUPAC(1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol
SMILESC=C/C(O)=C1/CCC(C)(C)OC1=C
InChIInChI=1S/C11H16O2/c1-5-10(12)9-6-7-11(3,4)13-8(9)2/h5,12H,1-2,6-7H2,3-4H3/b10-9+
InChIKeyUYCRXJVYICPDBW-MDZDMXLPSA-N
MW180.25 g/mol
LogP3.09
Rot. Bonds1

About (1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol

(1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol (PubChem CID 142170896) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol.

Molecular Properties

Compound Name(1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol
PubChem CID142170896
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name(1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol
SMILESC=C/C(O)=C1/CCC(C)(C)OC1=C
InChIInChI=1S/C11H16O2/c1-5-10(12)9-6-7-11(3,4)13-8(9)2/h5,12H,1-2,6-7H2,3-4H3/b10-9+
InChIKeyUYCRXJVYICPDBW-MDZDMXLPSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol?
The IUPAC name of (1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol (CID 142170896) is (1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol.
What is the SMILES notation for (1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol?
The canonical SMILES for (1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol is C=C/C(O)=C1/CCC(C)(C)OC1=C.
What is the InChIKey of (1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol?
The InChIKey is UYCRXJVYICPDBW-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H16O2/c1-5-10(12)9-6-7-11(3,4)13-8(9)2/h5,12H,1-2,6-7H2,3-4H3/b10-9+.
What are the key properties of (1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol?
(1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol has a molecular weight of 180.25 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(6,6-dimethyl-2-methylideneoxan-3-ylidene)prop-2-en-1-ol is sourced from PubChem (CID 142170896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).