3-diethoxyphosphoryl-2-methylhept-1-ene

C12H25O3P — CID 10658188

IUPAC3-diethoxyphosphoryl-2-methylhept-1-ene
SMILESC=C(C)C(CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C12H25O3P/c1-6-9-10-12(11(4)5)16(13,14-7-2)15-8-3/h12H,4,6-10H2,1-3,5H3
InChIKeyFJLIBAZVSCQXQJ-UHFFFAOYSA-N
MW248.30 g/mol
LogP4.39
Rot. Bonds9

About 3-diethoxyphosphoryl-2-methylhept-1-ene

3-diethoxyphosphoryl-2-methylhept-1-ene (PubChem CID 10658188) has the molecular formula C12H25O3P and a molecular weight of 248.30 g/mol. Its IUPAC name is 3-diethoxyphosphoryl-2-methylhept-1-ene.

Molecular Properties

Compound Name3-diethoxyphosphoryl-2-methylhept-1-ene
PubChem CID10658188
Molecular FormulaC12H25O3P
Molecular Weight248.30 g/mol
Exact Mass248.15
IUPAC Name3-diethoxyphosphoryl-2-methylhept-1-ene
SMILESC=C(C)C(CCCC)P(=O)(OCC)OCC
InChIInChI=1S/C12H25O3P/c1-6-9-10-12(11(4)5)16(13,14-7-2)15-8-3/h12H,4,6-10H2,1-3,5H3
InChIKeyFJLIBAZVSCQXQJ-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-diethoxyphosphoryltridecanoate
CID 56931385
ethyl (2S)-2-diethoxyphosphorylhexadecanoate
CID 98633198
1-diethoxyphosphoryl-1-fluoropentane
CID 10775597
ethyl 2-diethoxyphosphoryl-5-fluoropentanoate
CID 86678426
ethyl (2R)-2-diethoxyphosphorylpentanoate
CID 6992997
2,5-bis(diethoxyphosphoryl)hexanedioic acid
CID 54116909
ethyl 5-diethoxyphosphoryl-6-oxoheptanoate
CID 10852295
2-diethoxyphosphoryldecanoyl-diethyl-hexylazanium
CID 118059717
1,1-bis(diethoxyphosphoryl)tridecane
CID 172732742
ethyl (2S,3R)-3-diethoxyphosphoryl-2-hydroxyheptanoate
CID 23238044
5-diethoxyphosphoryl-2-methylpent-1-ene
CID 11345027
(1-ethoxy-1-oxohexan-2-yl)phosphonic acid
CID 57168391

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphoryl-2-methylhept-1-ene?
The IUPAC name of 3-diethoxyphosphoryl-2-methylhept-1-ene (CID 10658188) is 3-diethoxyphosphoryl-2-methylhept-1-ene.
What is the SMILES notation for 3-diethoxyphosphoryl-2-methylhept-1-ene?
The canonical SMILES for 3-diethoxyphosphoryl-2-methylhept-1-ene is C=C(C)C(CCCC)P(=O)(OCC)OCC.
What is the InChIKey of 3-diethoxyphosphoryl-2-methylhept-1-ene?
The InChIKey is FJLIBAZVSCQXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25O3P/c1-6-9-10-12(11(4)5)16(13,14-7-2)15-8-3/h12H,4,6-10H2,1-3,5H3.
What are the key properties of 3-diethoxyphosphoryl-2-methylhept-1-ene?
3-diethoxyphosphoryl-2-methylhept-1-ene has a molecular weight of 248.30 g/mol, XLogP of 4.39, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphoryl-2-methylhept-1-ene is sourced from PubChem (CID 10658188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).