dichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane

C10H15Cl2O5P — CID 175386707

IUPACdichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane
SMILESC#CCOCC(COCC#C)COP(O)(O)(Cl)Cl
InChIInChI=1S/C10H15Cl2O5P/c1-3-5-15-7-10(8-16-6-4-2)9-17-18(11,12,13)14/h1-2,10,13-14H,5-9H2
InChIKeyINWDJPBQJOLIRC-UHFFFAOYSA-N
MW317.11 g/mol
LogP1.51
Rot. Bonds9

About dichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane

dichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane (PubChem CID 175386707) has the molecular formula C10H15Cl2O5P and a molecular weight of 317.11 g/mol. Its IUPAC name is dichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane.

Molecular Properties

Compound Namedichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane
PubChem CID175386707
Molecular FormulaC10H15Cl2O5P
Molecular Weight317.11 g/mol
Exact Mass316.00
IUPAC Namedichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane
SMILESC#CCOCC(COCC#C)COP(O)(O)(Cl)Cl
InChIInChI=1S/C10H15Cl2O5P/c1-3-5-15-7-10(8-16-6-4-2)9-17-18(11,12,13)14/h1-2,10,13-14H,5-9H2
InChIKeyINWDJPBQJOLIRC-UHFFFAOYSA-N
XLogP1.51
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.11
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dichloro-dihydroxy-prop-2-ynoxy-λ5-phosphane
CID 174669331
1,3-bis(prop-2-ynoxy)propan-2-amine
CID 166692396
2-methyl-1-prop-2-ynoxypropane
CID 57470525
3-methyl-1-prop-2-ynoxy-2-(prop-2-ynoxymethyl)butane
CID 140958843
dichlorophosphinic acid;1-prop-2-enoxy-3-prop-2-ynoxypropan-2-ol
CID 175353339
1-pentoxy-3-prop-2-ynoxypropan-2-ol
CID 53428013
2,3,4,5-tetrahydroxy-6-prop-2-ynoxyhexanal
CID 86233463
(2S)-1-[4-[[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]methyl]phenoxy]-3-prop-2-ynoxypropan-2-ol
CID 90373843
1-[4-[[4-(3-chloro-2-hydroxypropoxy)phenyl]methyl]phenoxy]-3-prop-2-ynoxypropan-2-ol
CID 77143240
(2R)-1-[4-[[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]methyl]phenoxy]-3-prop-2-ynoxypropan-2-ol
CID 66562991
dihydroxy-bis[(2-methylpropan-2-yl)oxy]-prop-2-ynoxy-λ5-phosphane
CID 141309691
methyl 2-acetamido-3-prop-2-ynoxypropanoate
CID 75046402

Frequently Asked Questions

What is the IUPAC name of dichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane?
The IUPAC name of dichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane (CID 175386707) is dichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane.
What is the SMILES notation for dichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane?
The canonical SMILES for dichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane is C#CCOCC(COCC#C)COP(O)(O)(Cl)Cl.
What is the InChIKey of dichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane?
The InChIKey is INWDJPBQJOLIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15Cl2O5P/c1-3-5-15-7-10(8-16-6-4-2)9-17-18(11,12,13)14/h1-2,10,13-14H,5-9H2.
What are the key properties of dichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane?
dichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane has a molecular weight of 317.11 g/mol, XLogP of 1.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-dihydroxy-[3-prop-2-ynoxy-2-(prop-2-ynoxymethyl)propoxy]-λ5-phosphane is sourced from PubChem (CID 175386707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).