(2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane

C20H40P2 — CID 140850202

IUPAC(2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane
SMILESCC([C@H](C)P1[C@@H](C)CCCC[C@@H]1C)P1[C@@H](C)CCCC[C@@H]1C
InChIInChI=1S/C20H40P2/c1-15-11-7-8-12-16(2)21(15)19(5)20(6)22-17(3)13-9-10-14-18(22)4/h15-20H,7-14H2,1-6H3/t15-,16-,17-,18-,19-,20?/m0/s1
InChIKeyJGRDKOZUXGLWDP-BIPVHDJMSA-N
MW342.49 g/mol
LogP7.43
Rot. Bonds3

About (2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane

(2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane (PubChem CID 140850202) has the molecular formula C20H40P2 and a molecular weight of 342.49 g/mol. Its IUPAC name is (2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane.

Molecular Properties

Compound Name(2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane
PubChem CID140850202
Molecular FormulaC20H40P2
Molecular Weight342.49 g/mol
Exact Mass342.26
IUPAC Name(2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane
SMILESCC([C@H](C)P1[C@@H](C)CCCC[C@@H]1C)P1[C@@H](C)CCCC[C@@H]1C
InChIInChI=1S/C20H40P2/c1-15-11-7-8-12-16(2)21(15)19(5)20(6)22-17(3)13-9-10-14-18(22)4/h15-20H,7-14H2,1-6H3/t15-,16-,17-,18-,19-,20?/m0/s1
InChIKeyJGRDKOZUXGLWDP-BIPVHDJMSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane?
The IUPAC name of (2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane (CID 140850202) is (2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane.
What is the SMILES notation for (2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane?
The canonical SMILES for (2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane is CC([C@H](C)P1[C@@H](C)CCCC[C@@H]1C)P1[C@@H](C)CCCC[C@@H]1C.
What is the InChIKey of (2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane?
The InChIKey is JGRDKOZUXGLWDP-BIPVHDJMSA-N. The full InChI is InChI=1S/C20H40P2/c1-15-11-7-8-12-16(2)21(15)19(5)20(6)22-17(3)13-9-10-14-18(22)4/h15-20H,7-14H2,1-6H3/t15-,16-,17-,18-,19-,20?/m0/s1.
What are the key properties of (2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane?
(2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane has a molecular weight of 342.49 g/mol, XLogP of 7.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,7S)-1-[(2S)-3-[(2S,7S)-2,7-dimethylphosphepan-1-yl]butan-2-yl]-2,7-dimethylphosphepane is sourced from PubChem (CID 140850202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).