(1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene

C10H14O — CID 59076608

IUPAC(1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene
SMILESC=CC[C@H]1CC(C)=C[C@H]2O[C@@H]12
InChIInChI=1S/C10H14O/c1-3-4-8-5-7(2)6-9-10(8)11-9/h3,6,8-10H,1,4-5H2,2H3/t8-,9+,10-/m0/s1
InChIKeyCAINMNWHDAPTCG-AEJSXWLSSA-N
MW150.22 g/mol
LogP2.30
Rot. Bonds2

About (1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene

(1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene (PubChem CID 59076608) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name(1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene
PubChem CID59076608
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene
SMILESC=CC[C@H]1CC(C)=C[C@H]2O[C@@H]12
InChIInChI=1S/C10H14O/c1-3-4-8-5-7(2)6-9-10(8)11-9/h3,6,8-10H,1,4-5H2,2H3/t8-,9+,10-/m0/s1
InChIKeyCAINMNWHDAPTCG-AEJSXWLSSA-N
XLogP2.30
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.30
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'}

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Related Compounds

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CID 27866
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Rose oxide, trans-(-)-
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alpha-Phellandrene epoxide
CID 527087
Rose oxide, trans-(+)-
CID 1712086
Caudoxirene
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cis-3-Ethoxy-p-menth-1-ene
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(7R)-7-isopropenyl-4-methyl-1-oxaspiro[2.5]oct-4-ene
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Lanceoloxide
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3,9-Oxy-mentha-1,8(10)-diene
CID 22216621

Frequently Asked Questions

What is the IUPAC name of (1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene?
The IUPAC name of (1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene (CID 59076608) is (1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for (1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene?
The canonical SMILES for (1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene is C=CC[C@H]1CC(C)=C[C@H]2O[C@@H]12.
What is the InChIKey of (1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene?
The InChIKey is CAINMNWHDAPTCG-AEJSXWLSSA-N. The full InChI is InChI=1S/C10H14O/c1-3-4-8-5-7(2)6-9-10(8)11-9/h3,6,8-10H,1,4-5H2,2H3/t8-,9+,10-/m0/s1.
What are the key properties of (1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene?
(1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene has a molecular weight of 150.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6S)-3-methyl-5-prop-2-enyl-7-oxabicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 59076608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).