[(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol

C15H24O2 — CID 10847443

IUPAC[(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol
SMILESCC(C)=C1CC/C(C)=C/CC[C@@]2(CO)O[C@H]2C1
InChIInChI=1S/C15H24O2/c1-11(2)13-7-6-12(3)5-4-8-15(10-16)14(9-13)17-15/h5,14,16H,4,6-10H2,1-3H3/b12-5+/t14-,15-/m0/s1
InChIKeyMSHMJMYAOOCXCW-VNLLDLMDSA-N
MW236.35 g/mol
LogP3.36
Rot. Bonds1

About [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol

[(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol (PubChem CID 10847443) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol
PubChem CID10847443
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name[(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol
SMILESCC(C)=C1CC/C(C)=C/CC[C@@]2(CO)O[C@H]2C1
InChIInChI=1S/C15H24O2/c1-11(2)13-7-6-12(3)5-4-8-15(10-16)14(9-13)17-15/h5,14,16H,4,6-10H2,1-3H3/b12-5+/t14-,15-/m0/s1
InChIKeyMSHMJMYAOOCXCW-VNLLDLMDSA-N
XLogP3.36
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 ≤ 53.36
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 [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol?
The IUPAC name of [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol (CID 10847443) is [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol.
What is the SMILES notation for [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol?
The canonical SMILES for [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol is CC(C)=C1CC/C(C)=C/CC[C@@]2(CO)O[C@H]2C1.
What is the InChIKey of [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol?
The InChIKey is MSHMJMYAOOCXCW-VNLLDLMDSA-N. The full InChI is InChI=1S/C15H24O2/c1-11(2)13-7-6-12(3)5-4-8-15(10-16)14(9-13)17-15/h5,14,16H,4,6-10H2,1-3H3/b12-5+/t14-,15-/m0/s1.
What are the key properties of [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol?
[(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol has a molecular weight of 236.35 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4E,10S)-5-methyl-8-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-4-en-1-yl]methanol is sourced from PubChem (CID 10847443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).