1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol

C15H24O3 — CID 162884446

IUPAC1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol
SMILESC=C1CCC2OC2(C)C(O)CC(C(=C)C)CC1O
InChIInChI=1S/C15H24O3/c1-9(2)11-7-12(16)10(3)5-6-14-15(4,18-14)13(17)8-11/h11-14,16-17H,1,3,5-8H2,2,4H3
InChIKeyKLUFPULKIXIIJU-UHFFFAOYSA-N
MW252.35 g/mol
LogP2.19
Rot. Bonds1

About 1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol

1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol (PubChem CID 162884446) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol.

Molecular Properties

Compound Name1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol
PubChem CID162884446
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol
SMILESC=C1CCC2OC2(C)C(O)CC(C(=C)C)CC1O
InChIInChI=1S/C15H24O3/c1-9(2)11-7-12(16)10(3)5-6-14-15(4,18-14)13(17)8-11/h11-14,16-17H,1,3,5-8H2,2,4H3
InChIKeyKLUFPULKIXIIJU-UHFFFAOYSA-N
XLogP2.19
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol with MolForge

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Related Compounds

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cis-(2S,4R)-2-hydroperoxy-1-methylidene-4-prop-1-en-2-ylcyclohexane
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol?
The IUPAC name of 1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol (CID 162884446) is 1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol.
What is the SMILES notation for 1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol?
The canonical SMILES for 1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol is C=C1CCC2OC2(C)C(O)CC(C(=C)C)CC1O.
What is the InChIKey of 1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol?
The InChIKey is KLUFPULKIXIIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-9(2)11-7-12(16)10(3)5-6-14-15(4,18-14)13(17)8-11/h11-14,16-17H,1,3,5-8H2,2,4H3.
What are the key properties of 1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol?
1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol has a molecular weight of 252.35 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-methylidene-4-prop-1-en-2-yl-11-oxabicyclo[8.1.0]undecane-2,6-diol is sourced from PubChem (CID 162884446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).