(1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide

C10H17O5P — CID 101076932

IUPAC(1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide
SMILESCC1(C)O[C@H]2O[C@@H]3CCP(=O)(O)C[C@H]3[C@H]2O1
InChIInChI=1S/C10H17O5P/c1-10(2)14-8-6-5-16(11,12)4-3-7(6)13-9(8)15-10/h6-9H,3-5H2,1-2H3,(H,11,12)/t6-,7-,8-,9-/m1/s1
InChIKeyOZSMTGVJWVWCQB-FNCVBFRFSA-N
MW248.21 g/mol
LogP1.15
Rot. Bonds

About (1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide

(1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide (PubChem CID 101076932) has the molecular formula C10H17O5P and a molecular weight of 248.21 g/mol. Its IUPAC name is (1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide.

Molecular Properties

Compound Name(1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide
PubChem CID101076932
Molecular FormulaC10H17O5P
Molecular Weight248.21 g/mol
Exact Mass248.08
IUPAC Name(1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide
SMILESCC1(C)O[C@H]2O[C@@H]3CCP(=O)(O)C[C@H]3[C@H]2O1
InChIInChI=1S/C10H17O5P/c1-10(2)14-8-6-5-16(11,12)4-3-7(6)13-9(8)15-10/h6-9H,3-5H2,1-2H3,(H,11,12)/t6-,7-,8-,9-/m1/s1
InChIKeyOZSMTGVJWVWCQB-FNCVBFRFSA-N
XLogP1.15
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide with MolForge

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Launch Full Analysis

Related Compounds

(1S,6R)-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-ol
CID 58077746
(1S,2R,6R,8R,11R)-11-[[(1S,2R,6R,8R,11S)-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecan-11-yl]oxy]-4,4-dimethyl-3,5,7,12-tetraoxatricyclo[6.4.0.02,6]dodecane
CID 72723980
(2R,6R,8S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylic acid
CID 51062769
1-[(3aR,5S,6R,6aR)-6-hydroxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethanone
CID 11053121
(1R,2R,6S,8R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
CID 11885600
(1R,2R,6S,8R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxylate
CID 11885604
(3aS,5S,6S,6aR)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 124744801
2,2-dimethyl-5-[(2R)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 135037394
(3aR,5R,6S,6aS)-2,2-dimethyl-5-[(2S)-oxiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 11888642
4,4-dimethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecane
CID 73042620
(3aR,5S,6S,7S,7aR)-6,7-dihydroxy-2,2-dimethyl-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-carboxylic acid
CID 12790130
[(3aR,4aR,7R,8R,8aR,8bR)-8-acetyl-2,2-dimethyl-3a,4a,5,6,7,8,8a,8b-octahydro-[1,3]dioxolo[4,5-b][1]benzofuran-7-yl] acetate
CID 10357316

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide?
The IUPAC name of (1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide (CID 101076932) is (1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide.
What is the SMILES notation for (1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide?
The canonical SMILES for (1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide is CC1(C)O[C@H]2O[C@@H]3CCP(=O)(O)C[C@H]3[C@H]2O1.
What is the InChIKey of (1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide?
The InChIKey is OZSMTGVJWVWCQB-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H17O5P/c1-10(2)14-8-6-5-16(11,12)4-3-7(6)13-9(8)15-10/h6-9H,3-5H2,1-2H3,(H,11,12)/t6-,7-,8-,9-/m1/s1.
What are the key properties of (1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide?
(1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide has a molecular weight of 248.21 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R,8R)-11-hydroxy-4,4-dimethyl-3,5,7-trioxa-11λ5-phosphatricyclo[6.4.0.02,6]dodecane 11-oxide is sourced from PubChem (CID 101076932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).