(Z)-5-diethoxyphosphoryl-3-methylnon-4-ene

C14H29O3P — CID 101401800

IUPAC(Z)-5-diethoxyphosphoryl-3-methylnon-4-ene
SMILESCCCC/C(=C/C(C)CC)P(=O)(OCC)OCC
InChIInChI=1S/C14H29O3P/c1-6-10-11-14(12-13(5)7-2)18(15,16-8-3)17-9-4/h12-13H,6-11H2,1-5H3/b14-12-
InChIKeyHHIWNLRSTMGNHC-OWBHPGMISA-N
MW276.36 g/mol
LogP5.37
Rot. Bonds10

About (Z)-5-diethoxyphosphoryl-3-methylnon-4-ene

(Z)-5-diethoxyphosphoryl-3-methylnon-4-ene (PubChem CID 101401800) has the molecular formula C14H29O3P and a molecular weight of 276.36 g/mol. Its IUPAC name is (Z)-5-diethoxyphosphoryl-3-methylnon-4-ene.

Molecular Properties

Compound Name(Z)-5-diethoxyphosphoryl-3-methylnon-4-ene
PubChem CID101401800
Molecular FormulaC14H29O3P
Molecular Weight276.36 g/mol
Exact Mass276.19
IUPAC Name(Z)-5-diethoxyphosphoryl-3-methylnon-4-ene
SMILESCCCC/C(=C/C(C)CC)P(=O)(OCC)OCC
InChIInChI=1S/C14H29O3P/c1-6-10-11-14(12-13(5)7-2)18(15,16-8-3)17-9-4/h12-13H,6-11H2,1-5H3/b14-12-
InChIKeyHHIWNLRSTMGNHC-OWBHPGMISA-N
XLogP5.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.36
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-diethoxyphosphoryloct-2-ene
CID 10444695
1-Diethoxyphosphorylcyclohexene
CID 10560750
Diethoxyphosphorylcyclopentene
CID 10774533
(E)-2-diethoxyphosphorylpent-2-ene
CID 13613003
(6E,10E)-13-diethoxyphosphoryl-2,6,10-trimethyltrideca-2,6,10-triene
CID 134870879
(E)-4-diethoxyphosphoryloct-4-ene
CID 12160036
(4Z)-4-diethoxyphosphoryl-5-ethylnona-1,4-diene
CID 10589442
butoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11172316
ethoxy-[(E)-oct-4-en-4-yl]-oxophosphanium
CID 11287176
1-Diethoxyphosphorylcycloheptene
CID 12856521
(Z)-1-diethoxyphosphoryl-4-methylhex-3-ene
CID 13165582
(E)-1-diethoxyphosphoryl-4-methylpent-1-ene
CID 13291223

Frequently Asked Questions

What is the IUPAC name of (Z)-5-diethoxyphosphoryl-3-methylnon-4-ene?
The IUPAC name of (Z)-5-diethoxyphosphoryl-3-methylnon-4-ene (CID 101401800) is (Z)-5-diethoxyphosphoryl-3-methylnon-4-ene.
What is the SMILES notation for (Z)-5-diethoxyphosphoryl-3-methylnon-4-ene?
The canonical SMILES for (Z)-5-diethoxyphosphoryl-3-methylnon-4-ene is CCCC/C(=C/C(C)CC)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-5-diethoxyphosphoryl-3-methylnon-4-ene?
The InChIKey is HHIWNLRSTMGNHC-OWBHPGMISA-N. The full InChI is InChI=1S/C14H29O3P/c1-6-10-11-14(12-13(5)7-2)18(15,16-8-3)17-9-4/h12-13H,6-11H2,1-5H3/b14-12-.
What are the key properties of (Z)-5-diethoxyphosphoryl-3-methylnon-4-ene?
(Z)-5-diethoxyphosphoryl-3-methylnon-4-ene has a molecular weight of 276.36 g/mol, XLogP of 5.37, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-diethoxyphosphoryl-3-methylnon-4-ene is sourced from PubChem (CID 101401800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).