chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane

C9H21ClO3P2 — CID 87622493

IUPACchloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane
SMILES[H]P=P(OCCl)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C9H21ClO3P2/c1-8(2,3)12-15(14,11-7-10)13-9(4,5)6/h14H,7H2,1-6H3
InChIKeyPSCGRNSELADEEO-UHFFFAOYSA-N
MW274.67 g/mol
LogP4.65
Rot. Bonds4

About chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane

chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane (PubChem CID 87622493) has the molecular formula C9H21ClO3P2 and a molecular weight of 274.67 g/mol. Its IUPAC name is chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane.

Molecular Properties

Compound Namechloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane
PubChem CID87622493
Molecular FormulaC9H21ClO3P2
Molecular Weight274.67 g/mol
Exact Mass274.07
IUPAC Namechloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane
SMILES[H]P=P(OCCl)(OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C9H21ClO3P2/c1-8(2,3)12-15(14,11-7-10)13-9(4,5)6/h14H,7H2,1-6H3
InChIKeyPSCGRNSELADEEO-UHFFFAOYSA-N
XLogP4.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.67
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl chloromethyl methyl phosphate
CID 89409373
1-[chloromethoxy-[(2-methylpropan-2-yl)oxy]phosphoryl]-2,2-dimethylpropane
CID 59862963
potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl hydrogen phosphate
CID 158973567
chloro-hydroxy-[(2-methylpropan-2-yl)oxy]-sulfanylidene-λ5-phosphane
CID 150961079
potassium;chloro(chlorosulfonyloxy)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;iodomethane
CID 162107188
zinc bis(bis[(2-methylpropan-2-yl)oxy]-sulfanylidene-sulfido-λ5-phosphane)
CID 87788943
potassium;bis(bis[(2-methylpropan-2-yl)oxy]-oxophosphanium);chloro(iodo)methane;ditert-butyl chloromethyl phosphate;bis(ditert-butyl phosphate);hydrate;hydrochloride
CID 167691967
CID 131873404
CID 131873404
chloro(iodo)methane;ditert-butyl chloromethyl phosphate;ditert-butyl phosphate;methane;tributylazanium
CID 169430874
tert-butyl 2-[hydroxy-[2-[hydroxy(methoxy)phosphoryl]oxyethoxy]phosphoryl]oxyethyl hydrogen phosphate
CID 157111782
chloromethyl dimethyl phosphate
CID 88544336
[hydroxy-[(2-methylpropan-2-yl)oxy]phosphoryl]oxymethyl acetate
CID 159230701

Frequently Asked Questions

What is the IUPAC name of chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane?
The IUPAC name of chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane (CID 87622493) is chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane.
What is the SMILES notation for chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane?
The canonical SMILES for chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane is [H]P=P(OCCl)(OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane?
The InChIKey is PSCGRNSELADEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClO3P2/c1-8(2,3)12-15(14,11-7-10)13-9(4,5)6/h14H,7H2,1-6H3.
What are the key properties of chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane?
chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane has a molecular weight of 274.67 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethoxy-bis[(2-methylpropan-2-yl)oxy]-phosphanylidene-λ5-phosphane is sourced from PubChem (CID 87622493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).