bis(but-3-ynoxy)-chlorophosphane

C8H10ClO2P — CID 59593919

IUPACbis(but-3-ynoxy)-chlorophosphane
SMILESC#CCCOP(Cl)OCCC#C
InChIInChI=1S/C8H10ClO2P/c1-3-5-7-10-12(9)11-8-6-4-2/h1-2H,5-8H2
InChIKeyMZVSSLNJGHJRCE-UHFFFAOYSA-N
MW204.59 g/mol
LogP2.53
Rot. Bonds6

About bis(but-3-ynoxy)-chlorophosphane

bis(but-3-ynoxy)-chlorophosphane (PubChem CID 59593919) has the molecular formula C8H10ClO2P and a molecular weight of 204.59 g/mol. Its IUPAC name is bis(but-3-ynoxy)-chlorophosphane.

Molecular Properties

Compound Namebis(but-3-ynoxy)-chlorophosphane
PubChem CID59593919
Molecular FormulaC8H10ClO2P
Molecular Weight204.59 g/mol
Exact Mass204.01
IUPAC Namebis(but-3-ynoxy)-chlorophosphane
SMILESC#CCCOP(Cl)OCCC#C
InChIInChI=1S/C8H10ClO2P/c1-3-5-7-10-12(9)11-8-6-4-2/h1-2H,5-8H2
InChIKeyMZVSSLNJGHJRCE-UHFFFAOYSA-N
XLogP2.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.59
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

N-[but-3-ynoxy(chloro)phosphanyl]-N-propan-2-ylpropan-2-amine
CID 147538116
N-bis(but-3-ynoxy)phosphanyl-N-propan-2-ylpropan-2-amine
CID 24984157
1,4-bis(but-3-ynoxy)butane
CID 123521140
4-(3-chloropropoxy)but-1-yne
CID 55303034
dibutoxy(chloro)phosphane
CID 4231195
2-but-3-ynoxyethanamine
CID 62343032
5-pent-4-ynoxypent-1-yne
CID 57020380
but-3-ynyl hydrogen carbonate
CID 18402758
4-but-3-ynoxybutanal
CID 155251130
but-3-ynyl phosphono hydrogen phosphate
CID 46236598
bis(but-3-ynyl) prop-2-ynyl borate
CID 158817003
barium(2+);hexa-1,5-diyne;hydride
CID 173374880

Frequently Asked Questions

What is the IUPAC name of bis(but-3-ynoxy)-chlorophosphane?
The IUPAC name of bis(but-3-ynoxy)-chlorophosphane (CID 59593919) is bis(but-3-ynoxy)-chlorophosphane.
What is the SMILES notation for bis(but-3-ynoxy)-chlorophosphane?
The canonical SMILES for bis(but-3-ynoxy)-chlorophosphane is C#CCCOP(Cl)OCCC#C.
What is the InChIKey of bis(but-3-ynoxy)-chlorophosphane?
The InChIKey is MZVSSLNJGHJRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClO2P/c1-3-5-7-10-12(9)11-8-6-4-2/h1-2H,5-8H2.
What are the key properties of bis(but-3-ynoxy)-chlorophosphane?
bis(but-3-ynoxy)-chlorophosphane has a molecular weight of 204.59 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(but-3-ynoxy)-chlorophosphane is sourced from PubChem (CID 59593919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).