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

C10H16O — CID 10953718

IUPAC(4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=C(C)[C@H]1CCC2(C)OC2C1
InChIInChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m0/s1
InChIKeyCCEFMUBVSUDRLG-IDKOKCKLSA-N
MW152.24 g/mol
LogP2.52
Rot. Bonds1

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

(4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane (PubChem CID 10953718) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
PubChem CID10953718
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane
SMILESC=C(C)[C@H]1CCC2(C)OC2C1
InChIInChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m0/s1
InChIKeyCCEFMUBVSUDRLG-IDKOKCKLSA-N
XLogP2.52
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.52
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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Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The IUPAC name of (4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane (CID 10953718) is (4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane.
What is the SMILES notation for (4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The canonical SMILES for (4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane is C=C(C)[C@H]1CCC2(C)OC2C1.
What is the InChIKey of (4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
The InChIKey is CCEFMUBVSUDRLG-IDKOKCKLSA-N. The full InChI is InChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9?,10?/m0/s1.
What are the key properties of (4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane?
(4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane has a molecular weight of 152.24 g/mol, XLogP of 2.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptane is sourced from PubChem (CID 10953718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).