[(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol

C15H24O2 — CID 176893616

IUPAC[(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol
SMILESCC1(C)/C=C\CC2(C)OC2CC/C(CO)=C\C1
InChIInChI=1S/C15H24O2/c1-14(2)8-4-9-15(3)13(17-15)6-5-12(11-16)7-10-14/h4,7-8,13,16H,5-6,9-11H2,1-3H3/b8-4-,12-7+
InChIKeyOLKLCCFKSSYQOE-OPVKSPCESA-N
MW236.35 g/mol
LogP3.22
Rot. Bonds1

About [(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol

[(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol (PubChem CID 176893616) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is [(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol.

Molecular Properties

Compound Name[(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol
PubChem CID176893616
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name[(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol
SMILESCC1(C)/C=C\CC2(C)OC2CC/C(CO)=C\C1
InChIInChI=1S/C15H24O2/c1-14(2)8-4-9-15(3)13(17-15)6-5-12(11-16)7-10-14/h4,7-8,13,16H,5-6,9-11H2,1-3H3/b8-4-,12-7+
InChIKeyOLKLCCFKSSYQOE-OPVKSPCESA-N
XLogP3.22
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.22
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 [(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol?
The IUPAC name of [(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol (CID 176893616) is [(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol.
What is the SMILES notation for [(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol?
The canonical SMILES for [(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol is CC1(C)/C=C\CC2(C)OC2CC/C(CO)=C\C1.
What is the InChIKey of [(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol?
The InChIKey is OLKLCCFKSSYQOE-OPVKSPCESA-N. The full InChI is InChI=1S/C15H24O2/c1-14(2)8-4-9-15(3)13(17-15)6-5-12(11-16)7-10-14/h4,7-8,13,16H,5-6,9-11H2,1-3H3/b8-4-,12-7+.
What are the key properties of [(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol?
[(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol has a molecular weight of 236.35 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,8Z)-7,7,11-trimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-4-yl]methanol is sourced from PubChem (CID 176893616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).