2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol

C10H16O2 — CID 565280

IUPAC2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol
SMILESC=C(C)C1CCC(C)(O)C2OC12
InChIInChI=1S/C10H16O2/c1-6(2)7-4-5-10(3,11)9-8(7)12-9/h7-9,11H,1,4-5H2,2-3H3
InChIKeyFTJQTJQRGHNPSV-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.49
Rot. Bonds1

About 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol

2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol (PubChem CID 565280) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol.

Molecular Properties

Compound Name2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol
PubChem CID565280
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol
SMILESC=C(C)C1CCC(C)(O)C2OC12
InChIInChI=1S/C10H16O2/c1-6(2)7-4-5-10(3,11)9-8(7)12-9/h7-9,11H,1,4-5H2,2-3H3
InChIKeyFTJQTJQRGHNPSV-UHFFFAOYSA-N
XLogP1.49
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol?
The IUPAC name of 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol (CID 565280) is 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol.
What is the SMILES notation for 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol?
The canonical SMILES for 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol is C=C(C)C1CCC(C)(O)C2OC12.
What is the InChIKey of 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol?
The InChIKey is FTJQTJQRGHNPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)7-4-5-10(3,11)9-8(7)12-9/h7-9,11H,1,4-5H2,2-3H3.
What are the key properties of 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol?
2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-ol is sourced from PubChem (CID 565280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).