(1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one

C12H19O3P — CID 134467069

IUPAC(1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one
SMILESCC1CCC2C1C(O)C1(P)CC(=O)[C@@]2(C)O1
InChIInChI=1S/C12H19O3P/c1-6-3-4-7-9(6)10(14)12(16)5-8(13)11(7,2)15-12/h6-7,9-10,14H,3-5,16H2,1-2H3/t6?,7?,9?,10?,11-,12?/m0/s1
InChIKeyRACCBJCYUCSBNK-YHLUHPMHSA-N
MW242.25 g/mol
LogP1.34
Rot. Bonds

About (1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one

(1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one (PubChem CID 134467069) has the molecular formula C12H19O3P and a molecular weight of 242.25 g/mol. Its IUPAC name is (1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one.

Molecular Properties

Compound Name(1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one
PubChem CID134467069
Molecular FormulaC12H19O3P
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Name(1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one
SMILESCC1CCC2C1C(O)C1(P)CC(=O)[C@@]2(C)O1
InChIInChI=1S/C12H19O3P/c1-6-3-4-7-9(6)10(14)12(16)5-8(13)11(7,2)15-12/h6-7,9-10,14H,3-5,16H2,1-2H3/t6?,7?,9?,10?,11-,12?/m0/s1
InChIKeyRACCBJCYUCSBNK-YHLUHPMHSA-N
XLogP1.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one?
The IUPAC name of (1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one (CID 134467069) is (1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one.
What is the SMILES notation for (1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one?
The canonical SMILES for (1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one is CC1CCC2C1C(O)C1(P)CC(=O)[C@@]2(C)O1.
What is the InChIKey of (1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one?
The InChIKey is RACCBJCYUCSBNK-YHLUHPMHSA-N. The full InChI is InChI=1S/C12H19O3P/c1-6-3-4-7-9(6)10(14)12(16)5-8(13)11(7,2)15-12/h6-7,9-10,14H,3-5,16H2,1-2H3/t6?,7?,9?,10?,11-,12?/m0/s1.
What are the key properties of (1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one?
(1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one has a molecular weight of 242.25 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-hydroxy-1,5-dimethyl-8-phosphanyl-11-oxatricyclo[6.2.1.02,6]undecan-10-one is sourced from PubChem (CID 134467069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).