(1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide

C17H33OP — CID 134885933

IUPAC(1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1[P@@]1(=O)CC(C)(C)C1(C)C
InChIInChI=1S/C17H33OP/c1-12(2)14-9-8-13(3)10-15(14)19(18)11-16(4,5)17(19,6)7/h12-15H,8-11H2,1-7H3/t13-,14+,15-,19+/m1/s1
InChIKeySNBDSXIJRBPXFL-GJRWTSMGSA-N
MW284.42 g/mol
LogP5.63
Rot. Bonds2

About (1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide

(1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide (PubChem CID 134885933) has the molecular formula C17H33OP and a molecular weight of 284.42 g/mol. Its IUPAC name is (1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide.

Molecular Properties

Compound Name(1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide
PubChem CID134885933
Molecular FormulaC17H33OP
Molecular Weight284.42 g/mol
Exact Mass284.23
IUPAC Name(1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1[P@@]1(=O)CC(C)(C)C1(C)C
InChIInChI=1S/C17H33OP/c1-12(2)14-9-8-13(3)10-15(14)19(18)11-16(4,5)17(19,6)7/h12-15H,8-11H2,1-7H3/t13-,14+,15-,19+/m1/s1
InChIKeySNBDSXIJRBPXFL-GJRWTSMGSA-N
XLogP5.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.42
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide with MolForge

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Related Compounds

dimethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]silane
CID 124635131
(2S)-4-methyl-1,2-di(propan-2-yl)cyclohexane
CID 169042978
hexakis[(-)-menthyl]distannane
CID 86177037
(1R,2R,4S)-2-fluoro-4-methyl-1-propan-2-ylcyclohexane
CID 135011931
dimethyl-bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]stannane
CID 177420575
(E)-3-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]prop-2-enal
CID 131236652
trans-(1R,4S)-4-methyl-2-nitroso-1-propan-2-ylcyclohexane
CID 54349624
(2R)-1,4-dimethyl-2-propan-2-ylcyclohexane
CID 149206895
5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66645461
(1S,2R,4R)-4-methyl-2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843260
(1S,2S,4R)-4-methyl-2-[[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]diselanyl]-1-propan-2-ylcyclohexane
CID 11843401
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide?
The IUPAC name of (1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide (CID 134885933) is (1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide.
What is the SMILES notation for (1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide?
The canonical SMILES for (1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[P@@]1(=O)CC(C)(C)C1(C)C.
What is the InChIKey of (1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide?
The InChIKey is SNBDSXIJRBPXFL-GJRWTSMGSA-N. The full InChI is InChI=1S/C17H33OP/c1-12(2)14-9-8-13(3)10-15(14)19(18)11-16(4,5)17(19,6)7/h12-15H,8-11H2,1-7H3/t13-,14+,15-,19+/m1/s1.
What are the key properties of (1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide?
(1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide has a molecular weight of 284.42 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,3,3-tetramethyl-1-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]-1λ5-phosphetane 1-oxide is sourced from PubChem (CID 134885933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).