2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol

C10H16O2 — CID 162949977

IUPAC2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol
SMILESCC(C)(O)C1=C[C@H]2O[C@@]2(C)CC1
InChIInChI=1S/C10H16O2/c1-9(2,11)7-4-5-10(3)8(6-7)12-10/h6,8,11H,4-5H2,1-3H3/t8-,10+/m1/s1
InChIKeyHOKBNIXMVJUWKV-SCZZXKLOSA-N
MW168.24 g/mol
LogP1.63
Rot. Bonds1

About 2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol

2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol (PubChem CID 162949977) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol
PubChem CID162949977
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol
SMILESCC(C)(O)C1=C[C@H]2O[C@@]2(C)CC1
InChIInChI=1S/C10H16O2/c1-9(2,11)7-4-5-10(3)8(6-7)12-10/h6,8,11H,4-5H2,1-3H3/t8-,10+/m1/s1
InChIKeyHOKBNIXMVJUWKV-SCZZXKLOSA-N
XLogP1.63
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 ≤ 51.63
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-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol?
The IUPAC name of 2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol (CID 162949977) is 2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol.
What is the SMILES notation for 2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol?
The canonical SMILES for 2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol is CC(C)(O)C1=C[C@H]2O[C@@]2(C)CC1.
What is the InChIKey of 2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol?
The InChIKey is HOKBNIXMVJUWKV-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2,11)7-4-5-10(3)8(6-7)12-10/h6,8,11H,4-5H2,1-3H3/t8-,10+/m1/s1.
What are the key properties of 2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol?
2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol has a molecular weight of 168.24 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,6S)-6-methyl-7-oxabicyclo[4.1.0]hept-2-en-3-yl]propan-2-ol is sourced from PubChem (CID 162949977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).