(3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

C15H24O — CID 101324901

IUPAC(3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
SMILESC/C1=C/CC(C)(C)C2OC2C/C(C)=C\CC1
InChIInChI=1S/C15H24O/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-8-,12-7-
InChIKeyWSIKWSKUPSHZMF-HONFXZPPSA-N
MW220.36 g/mol
LogP4.25
Rot. Bonds

About (3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

(3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene (PubChem CID 101324901) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is (3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene.

Molecular Properties

Compound Name(3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
PubChem CID101324901
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name(3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
SMILESC/C1=C/CC(C)(C)C2OC2C/C(C)=C\CC1
InChIInChI=1S/C15H24O/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-8-,12-7-
InChIKeyWSIKWSKUPSHZMF-HONFXZPPSA-N
XLogP4.25
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.25
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 (3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
The IUPAC name of (3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene (CID 101324901) is (3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene.
What is the SMILES notation for (3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
The canonical SMILES for (3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene is C/C1=C/CC(C)(C)C2OC2C/C(C)=C\CC1.
What is the InChIKey of (3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
The InChIKey is WSIKWSKUPSHZMF-HONFXZPPSA-N. The full InChI is InChI=1S/C15H24O/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-8-,12-7-.
What are the key properties of (3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
(3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene has a molecular weight of 220.36 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,7Z)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene is sourced from PubChem (CID 101324901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).