4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene

C14H20O — CID 139549033

IUPAC4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene
SMILESC/C=C\C1=C(/C=C\C)C(C)(C)CC2OC12
InChIInChI=1S/C14H20O/c1-5-7-10-11(8-6-2)14(3,4)9-12-13(10)15-12/h5-8,12-13H,9H2,1-4H3/b7-5-,8-6-
InChIKeyBLMLDKVYUJWPSW-SFECMWDFSA-N
MW204.31 g/mol
LogP3.63
Rot. Bonds2

About 4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene

4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene (PubChem CID 139549033) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene
PubChem CID139549033
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene
SMILESC/C=C\C1=C(/C=C\C)C(C)(C)CC2OC12
InChIInChI=1S/C14H20O/c1-5-7-10-11(8-6-2)14(3,4)9-12-13(10)15-12/h5-8,12-13H,9H2,1-4H3/b7-5-,8-6-
InChIKeyBLMLDKVYUJWPSW-SFECMWDFSA-N
XLogP3.63
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene?
The IUPAC name of 4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene (CID 139549033) is 4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for 4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene?
The canonical SMILES for 4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene is C/C=C\C1=C(/C=C\C)C(C)(C)CC2OC12.
What is the InChIKey of 4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene?
The InChIKey is BLMLDKVYUJWPSW-SFECMWDFSA-N. The full InChI is InChI=1S/C14H20O/c1-5-7-10-11(8-6-2)14(3,4)9-12-13(10)15-12/h5-8,12-13H,9H2,1-4H3/b7-5-,8-6-.
What are the key properties of 4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene?
4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene has a molecular weight of 204.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 139549033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).