[2-methylbutoxymethoxy(phosphanyl)methyl]phosphane

C7H18O2P2 — CID 58625661

IUPAC[2-methylbutoxymethoxy(phosphanyl)methyl]phosphane
SMILESCCC(C)COCOC(P)P
InChIInChI=1S/C7H18O2P2/c1-3-6(2)4-8-5-9-7(10)11/h6-7H,3-5,10-11H2,1-2H3
InChIKeyPDPGSCHCVVRMNO-UHFFFAOYSA-N
MW196.17 g/mol
LogP2.06
Rot. Bonds6

About [2-methylbutoxymethoxy(phosphanyl)methyl]phosphane

[2-methylbutoxymethoxy(phosphanyl)methyl]phosphane (PubChem CID 58625661) has the molecular formula C7H18O2P2 and a molecular weight of 196.17 g/mol. Its IUPAC name is [2-methylbutoxymethoxy(phosphanyl)methyl]phosphane.

Molecular Properties

Compound Name[2-methylbutoxymethoxy(phosphanyl)methyl]phosphane
PubChem CID58625661
Molecular FormulaC7H18O2P2
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name[2-methylbutoxymethoxy(phosphanyl)methyl]phosphane
SMILESCCC(C)COCOC(P)P
InChIInChI=1S/C7H18O2P2/c1-3-6(2)4-8-5-9-7(10)11/h6-7H,3-5,10-11H2,1-2H3
InChIKeyPDPGSCHCVVRMNO-UHFFFAOYSA-N
XLogP2.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2-methylbutoxy)butane
CID 4584641
(2S)-1-[bis[(2S)-2-methylbutoxy]methoxy]-2-methylbutane
CID 134895103
2-methylbutoxymethanethiol
CID 129171178
2-methyl-1-pentan-3-yloxybutane
CID 23377308
ethane;2-methyl-1-propan-2-yloxybutane
CID 143253111
1,2-bis(2-methylbutoxy)hexane
CID 71465095
methane;1-methoxy-2-methylbutane
CID 159281556
butan-2-ylphosphane;hydrochloride
CID 174764071
N-[2-(2-methylbutoxy)ethyl]propan-2-amine
CID 62342211
ethane;1-methoxy-2-methylbutane;propane
CID 143686071
sodium [2-hydroxy-3-(2-methylbutoxy)propyl]azanide
CID 140645519
methane;1-methoxy-2-methylbutane;3-methoxypentane
CID 160866312

Frequently Asked Questions

What is the IUPAC name of [2-methylbutoxymethoxy(phosphanyl)methyl]phosphane?
The IUPAC name of [2-methylbutoxymethoxy(phosphanyl)methyl]phosphane (CID 58625661) is [2-methylbutoxymethoxy(phosphanyl)methyl]phosphane.
What is the SMILES notation for [2-methylbutoxymethoxy(phosphanyl)methyl]phosphane?
The canonical SMILES for [2-methylbutoxymethoxy(phosphanyl)methyl]phosphane is CCC(C)COCOC(P)P.
What is the InChIKey of [2-methylbutoxymethoxy(phosphanyl)methyl]phosphane?
The InChIKey is PDPGSCHCVVRMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18O2P2/c1-3-6(2)4-8-5-9-7(10)11/h6-7H,3-5,10-11H2,1-2H3.
What are the key properties of [2-methylbutoxymethoxy(phosphanyl)methyl]phosphane?
[2-methylbutoxymethoxy(phosphanyl)methyl]phosphane has a molecular weight of 196.17 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methylbutoxymethoxy(phosphanyl)methyl]phosphane is sourced from PubChem (CID 58625661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).