(Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene

C20H41O3P — CID 134934470

IUPAC(Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene
SMILESCCCCCCCC/C(C)=C(/C)P(=O)(OCCCC)OCCCC
InChIInChI=1S/C20H41O3P/c1-6-9-12-13-14-15-16-19(4)20(5)24(21,22-17-10-7-2)23-18-11-8-3/h6-18H2,1-5H3/b20-19-
InChIKeyJTLROCVWZJPVCJ-VXPUYCOJSA-N
MW360.52 g/mol
LogP7.86
Rot. Bonds16

About (Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene

(Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene (PubChem CID 134934470) has the molecular formula C20H41O3P and a molecular weight of 360.52 g/mol. Its IUPAC name is (Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene.

Molecular Properties

Compound Name(Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene
PubChem CID134934470
Molecular FormulaC20H41O3P
Molecular Weight360.52 g/mol
Exact Mass360.28
IUPAC Name(Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene
SMILESCCCCCCCC/C(C)=C(/C)P(=O)(OCCCC)OCCCC
InChIInChI=1S/C20H41O3P/c1-6-9-12-13-14-15-16-19(4)20(5)24(21,22-17-10-7-2)23-18-11-8-3/h6-18H2,1-5H3/b20-19-
InChIKeyJTLROCVWZJPVCJ-VXPUYCOJSA-N
XLogP7.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.52
LogP ≤ 57.86
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene?
The IUPAC name of (Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene (CID 134934470) is (Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene.
What is the SMILES notation for (Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene?
The canonical SMILES for (Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene is CCCCCCCC/C(C)=C(/C)P(=O)(OCCCC)OCCCC.
What is the InChIKey of (Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene?
The InChIKey is JTLROCVWZJPVCJ-VXPUYCOJSA-N. The full InChI is InChI=1S/C20H41O3P/c1-6-9-12-13-14-15-16-19(4)20(5)24(21,22-17-10-7-2)23-18-11-8-3/h6-18H2,1-5H3/b20-19-.
What are the key properties of (Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene?
(Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene has a molecular weight of 360.52 g/mol, XLogP of 7.86, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-dibutoxyphosphoryl-3-methylundec-2-ene is sourced from PubChem (CID 134934470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).