ethyl-methyl-octan-3-yloxyphosphane

C11H25OP — CID 22628649

IUPACethyl-methyl-octan-3-yloxyphosphane
SMILESCCCCCC(CC)OP(C)CC
InChIInChI=1S/C11H25OP/c1-5-8-9-10-11(6-2)12-13(4)7-3/h11H,5-10H2,1-4H3
InChIKeyKXPSKEMXHHLRKD-UHFFFAOYSA-N
MW204.29 g/mol
LogP4.41
Rot. Bonds8

About ethyl-methyl-octan-3-yloxyphosphane

ethyl-methyl-octan-3-yloxyphosphane (PubChem CID 22628649) has the molecular formula C11H25OP and a molecular weight of 204.29 g/mol. Its IUPAC name is ethyl-methyl-octan-3-yloxyphosphane.

Molecular Properties

Compound Nameethyl-methyl-octan-3-yloxyphosphane
PubChem CID22628649
Molecular FormulaC11H25OP
Molecular Weight204.29 g/mol
Exact Mass204.16
IUPAC Nameethyl-methyl-octan-3-yloxyphosphane
SMILESCCCCCC(CC)OP(C)CC
InChIInChI=1S/C11H25OP/c1-5-8-9-10-11(6-2)12-13(4)7-3/h11H,5-10H2,1-4H3
InChIKeyKXPSKEMXHHLRKD-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadecan-3-yl dihydrogen phosphite
CID 87219240
tris(dioctan-3-yl phosphite);neodymium(3+)
CID 173353082
3-icosan-3-yloxyicosane
CID 22595200
3-pentadecan-3-yloxypentadecane
CID 57200588
di(tricosan-3-yloxy)silane
CID 173236024
3-hydroperoxyoctane
CID 22268892
tripentadecan-6-yl phosphite
CID 87207088
trihexan-3-yl phosphite
CID 88792462
16-tetratriacontan-16-yloxytetratriacontane
CID 91150918
6-tricosan-6-yloxytricosane
CID 57279617
trioctan-3-yl phosphate
CID 22497520
CID 22295533
CID 22295533

Frequently Asked Questions

What is the IUPAC name of ethyl-methyl-octan-3-yloxyphosphane?
The IUPAC name of ethyl-methyl-octan-3-yloxyphosphane (CID 22628649) is ethyl-methyl-octan-3-yloxyphosphane.
What is the SMILES notation for ethyl-methyl-octan-3-yloxyphosphane?
The canonical SMILES for ethyl-methyl-octan-3-yloxyphosphane is CCCCCC(CC)OP(C)CC.
What is the InChIKey of ethyl-methyl-octan-3-yloxyphosphane?
The InChIKey is KXPSKEMXHHLRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25OP/c1-5-8-9-10-11(6-2)12-13(4)7-3/h11H,5-10H2,1-4H3.
What are the key properties of ethyl-methyl-octan-3-yloxyphosphane?
ethyl-methyl-octan-3-yloxyphosphane has a molecular weight of 204.29 g/mol, XLogP of 4.41, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-octan-3-yloxyphosphane is sourced from PubChem (CID 22628649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).