(1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

C11H16O — CID 134892006

IUPAC(1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=C(C)[C@@H]1CC(=C)[C@]2(C)O[C@@H]2C1
InChIInChI=1S/C11H16O/c1-7(2)9-5-8(3)11(4)10(6-9)12-11/h9-10H,1,3,5-6H2,2,4H3/t9-,10-,11+/m1/s1
InChIKeyFGTDBQOZSXDUKZ-MXWKQRLJSA-N
MW164.25 g/mol
LogP2.69
Rot. Bonds1

About (1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane

(1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane (PubChem CID 134892006) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
PubChem CID134892006
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=C(C)[C@@H]1CC(=C)[C@]2(C)O[C@@H]2C1
InChIInChI=1S/C11H16O/c1-7(2)9-5-8(3)11(4)10(6-9)12-11/h9-10H,1,3,5-6H2,2,4H3/t9-,10-,11+/m1/s1
InChIKeyFGTDBQOZSXDUKZ-MXWKQRLJSA-N
XLogP2.69
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane with MolForge

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Related Compounds

Limonene oxide
CID 91496
Limonene-1,2-epoxide
CID 441245
(+)-trans-Limonene oxide
CID 449290
cis-(+)-Limonene oxide
CID 6857487
Limonene oxide, (-)-
CID 10953718
Limonene oxide, cis-(-)-
CID 6452061
Limonene oxide, trans-(-)-
CID 8029780
1-Methyl-4-(5-methyl-1-methylenehex-4-enyl)-7-oxabicyclo[4.1.0]heptane
CID 527060
7-Oxabicyclo(4.1.0)heptane, 4-(1,5-dimethyl-1,4-hexadienyl)-1-methyl-
CID 536292
Npc275706
CID 6432653
(1S,4S,6R)-1-Methyl-4-((Z)-6-methylhepta-2,5-dien-2-yl)-7-oxabicyclo[4.1.0]heptane
CID 11009507
Npc186793
CID 5363099

Frequently Asked Questions

What is the IUPAC name of (1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane (CID 134892006) is (1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane is C=C(C)[C@@H]1CC(=C)[C@]2(C)O[C@@H]2C1.
What is the InChIKey of (1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is FGTDBQOZSXDUKZ-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H16O/c1-7(2)9-5-8(3)11(4)10(6-9)12-11/h9-10H,1,3,5-6H2,2,4H3/t9-,10-,11+/m1/s1.
What are the key properties of (1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
(1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 164.25 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6R)-1-methyl-2-methylidene-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 134892006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).