1-di(propan-2-yloxy)phosphorylprop-1-yne

C9H17O3P — CID 23413417

IUPAC1-di(propan-2-yloxy)phosphorylprop-1-yne
SMILESCC#CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H17O3P/c1-6-7-13(10,11-8(2)3)12-9(4)5/h8-9H,1-5H3
InChIKeyLDVWNVNTGFDILM-UHFFFAOYSA-N
MW204.21 g/mol
LogP3.01
Rot. Bonds4

About 1-di(propan-2-yloxy)phosphorylprop-1-yne

1-di(propan-2-yloxy)phosphorylprop-1-yne (PubChem CID 23413417) has the molecular formula C9H17O3P and a molecular weight of 204.21 g/mol. Its IUPAC name is 1-di(propan-2-yloxy)phosphorylprop-1-yne.

Molecular Properties

Compound Name1-di(propan-2-yloxy)phosphorylprop-1-yne
PubChem CID23413417
Molecular FormulaC9H17O3P
Molecular Weight204.21 g/mol
Exact Mass204.09
IUPAC Name1-di(propan-2-yloxy)phosphorylprop-1-yne
SMILESCC#CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H17O3P/c1-6-7-13(10,11-8(2)3)12-9(4)5/h8-9H,1-5H3
InChIKeyLDVWNVNTGFDILM-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-di(propan-2-yloxy)phosphorylethynylcyclopropane
CID 135068365
3-chloro-1-di(propan-2-yloxy)phosphoryl-3,3-difluoroprop-1-yne
CID 134922782
bis[2-di(propan-2-yloxy)phosphorylethynoxy]-oxophosphanium
CID 175516484
1-di(propan-2-yloxy)phosphorylhex-1-yne
CID 101481080
1-di(propan-2-yloxy)phosphoryl-3,3,4,4,5,5,5-heptafluoropent-1-yne
CID 134922874
tert-butyl 3-di(propan-2-yloxy)phosphorylprop-2-ynoate
CID 134859473
2-dimethylphosphoryloxypropane
CID 12572720
copper bis(dipropan-2-yl phosphate)
CID 159825108
bis(2-di(propan-2-yl)phosphoryloxypropane);methane
CID 160822091
CID 175885039
CID 175885039
methane;methyl dipropan-2-yl phosphate
CID 158565801
ethene;2-[fluoro(methyl)phosphoryl]oxypropane
CID 174612672

Frequently Asked Questions

What is the IUPAC name of 1-di(propan-2-yloxy)phosphorylprop-1-yne?
The IUPAC name of 1-di(propan-2-yloxy)phosphorylprop-1-yne (CID 23413417) is 1-di(propan-2-yloxy)phosphorylprop-1-yne.
What is the SMILES notation for 1-di(propan-2-yloxy)phosphorylprop-1-yne?
The canonical SMILES for 1-di(propan-2-yloxy)phosphorylprop-1-yne is CC#CP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 1-di(propan-2-yloxy)phosphorylprop-1-yne?
The InChIKey is LDVWNVNTGFDILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3P/c1-6-7-13(10,11-8(2)3)12-9(4)5/h8-9H,1-5H3.
What are the key properties of 1-di(propan-2-yloxy)phosphorylprop-1-yne?
1-di(propan-2-yloxy)phosphorylprop-1-yne has a molecular weight of 204.21 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-di(propan-2-yloxy)phosphorylprop-1-yne is sourced from PubChem (CID 23413417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).