(E)-1-diethoxyphosphoryl-2-methylhept-1-ene

C12H25O3P — CID 10753066

IUPAC(E)-1-diethoxyphosphoryl-2-methylhept-1-ene
SMILESCCCCC/C(C)=C/P(=O)(OCC)OCC
InChIInChI=1S/C12H25O3P/c1-5-8-9-10-12(4)11-16(13,14-6-2)15-7-3/h11H,5-10H2,1-4H3/b12-11+
InChIKeyURGGKVJDLGZBIL-VAWYXSNFSA-N
MW248.30 g/mol
LogP4.74
Rot. Bonds9

About (E)-1-diethoxyphosphoryl-2-methylhept-1-ene

(E)-1-diethoxyphosphoryl-2-methylhept-1-ene (PubChem CID 10753066) has the molecular formula C12H25O3P and a molecular weight of 248.30 g/mol. Its IUPAC name is (E)-1-diethoxyphosphoryl-2-methylhept-1-ene.

Molecular Properties

Compound Name(E)-1-diethoxyphosphoryl-2-methylhept-1-ene
PubChem CID10753066
Molecular FormulaC12H25O3P
Molecular Weight248.30 g/mol
Exact Mass248.15
IUPAC Name(E)-1-diethoxyphosphoryl-2-methylhept-1-ene
SMILESCCCCC/C(C)=C/P(=O)(OCC)OCC
InChIInChI=1S/C12H25O3P/c1-5-8-9-10-12(4)11-16(13,14-6-2)15-7-3/h11H,5-10H2,1-4H3/b12-11+
InChIKeyURGGKVJDLGZBIL-VAWYXSNFSA-N
XLogP4.74
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 ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-(diethoxyphosphorylmethylidene)nonane
CID 10660090
(E)-1-diethoxyphosphoryl-3-methyloct-2-ene
CID 134894980
(E,5E)-5-(diethoxyphosphorylmethylidene)-4-ethyldec-3-ene
CID 11186158
(E)-2-diethoxyphosphoryl-1-hexoxyethenol
CID 46944644
(Z)-2-butylselanyl-1-diethoxyphosphorylhex-1-ene
CID 11057373
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563
3-diethoxyphosphoryl-2-methylprop-2-enoic acid
CID 71398288
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
2-diethoxyphosphoryl-1-ethoxyethenol
CID 15972171
1-ethoxy-2-methylundec-1-ene
CID 175266518
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795

Frequently Asked Questions

What is the IUPAC name of (E)-1-diethoxyphosphoryl-2-methylhept-1-ene?
The IUPAC name of (E)-1-diethoxyphosphoryl-2-methylhept-1-ene (CID 10753066) is (E)-1-diethoxyphosphoryl-2-methylhept-1-ene.
What is the SMILES notation for (E)-1-diethoxyphosphoryl-2-methylhept-1-ene?
The canonical SMILES for (E)-1-diethoxyphosphoryl-2-methylhept-1-ene is CCCCC/C(C)=C/P(=O)(OCC)OCC.
What is the InChIKey of (E)-1-diethoxyphosphoryl-2-methylhept-1-ene?
The InChIKey is URGGKVJDLGZBIL-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H25O3P/c1-5-8-9-10-12(4)11-16(13,14-6-2)15-7-3/h11H,5-10H2,1-4H3/b12-11+.
What are the key properties of (E)-1-diethoxyphosphoryl-2-methylhept-1-ene?
(E)-1-diethoxyphosphoryl-2-methylhept-1-ene has a molecular weight of 248.30 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-diethoxyphosphoryl-2-methylhept-1-ene is sourced from PubChem (CID 10753066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).