(1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one

C15H24O2 — CID 11817223

IUPAC(1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one
SMILESO=C1CC/C=C\CCCC[C@@]2(O)CCCC[C@H]12
InChIInChI=1S/C15H24O2/c16-14-10-5-3-1-2-4-7-11-15(17)12-8-6-9-13(14)15/h1,3,13,17H,2,4-12H2/b3-1-/t13-,15-/m1/s1
InChIKeyITYZWHKOMDNSLT-RRHCFGMKSA-N
MW236.35 g/mol
LogP3.39
Rot. Bonds

About (1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one

(1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one (PubChem CID 11817223) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is (1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one.

Molecular Properties

Compound Name(1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one
PubChem CID11817223
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name(1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one
SMILESO=C1CC/C=C\CCCC[C@@]2(O)CCCC[C@H]12
InChIInChI=1S/C15H24O2/c16-14-10-5-3-1-2-4-7-11-15(17)12-8-6-9-13(14)15/h1,3,13,17H,2,4-12H2/b3-1-/t13-,15-/m1/s1
InChIKeyITYZWHKOMDNSLT-RRHCFGMKSA-N
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one?
The IUPAC name of (1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one (CID 11817223) is (1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one.
What is the SMILES notation for (1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one?
The canonical SMILES for (1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one is O=C1CC/C=C\CCCC[C@@]2(O)CCCC[C@H]12.
What is the InChIKey of (1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one?
The InChIKey is ITYZWHKOMDNSLT-RRHCFGMKSA-N. The full InChI is InChI=1S/C15H24O2/c16-14-10-5-3-1-2-4-7-11-15(17)12-8-6-9-13(14)15/h1,3,13,17H,2,4-12H2/b3-1-/t13-,15-/m1/s1.
What are the key properties of (1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one?
(1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one has a molecular weight of 236.35 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5Z,11R)-11-hydroxybicyclo[9.4.0]pentadec-5-en-2-one is sourced from PubChem (CID 11817223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).