(Z)-1-bromo-1-diethoxyphosphorylhept-1-ene

C11H22BrO3P — CID 12963741

IUPAC(Z)-1-bromo-1-diethoxyphosphorylhept-1-ene
SMILESCCCCC/C=C(\Br)P(=O)(OCC)OCC
InChIInChI=1S/C11H22BrO3P/c1-4-7-8-9-10-11(12)16(13,14-5-2)15-6-3/h10H,4-9H2,1-3H3/b11-10+
InChIKeyRAGZRFKJZSCMKY-ZHACJKMWSA-N
MW313.17 g/mol
LogP5.07
Rot. Bonds9

About (Z)-1-bromo-1-diethoxyphosphorylhept-1-ene

(Z)-1-bromo-1-diethoxyphosphorylhept-1-ene (PubChem CID 12963741) has the molecular formula C11H22BrO3P and a molecular weight of 313.17 g/mol. Its IUPAC name is (Z)-1-bromo-1-diethoxyphosphorylhept-1-ene.

Molecular Properties

Compound Name(Z)-1-bromo-1-diethoxyphosphorylhept-1-ene
PubChem CID12963741
Molecular FormulaC11H22BrO3P
Molecular Weight313.17 g/mol
Exact Mass312.05
IUPAC Name(Z)-1-bromo-1-diethoxyphosphorylhept-1-ene
SMILESCCCCC/C=C(\Br)P(=O)(OCC)OCC
InChIInChI=1S/C11H22BrO3P/c1-4-7-8-9-10-11(12)16(13,14-5-2)15-6-3/h10H,4-9H2,1-3H3/b11-10+
InChIKeyRAGZRFKJZSCMKY-ZHACJKMWSA-N
XLogP5.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.17
LogP ≤ 55.07
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

(2-Bromo-2-diethoxyphosphorylethenylidene)cyclohexane
CID 101038231
(3E)-3-[bromo(diethoxyphosphoryl)methylidene]heptane
CID 11438817
1-Diethoxyphosphorylocta-1,2-diene
CID 13016165
3-Diethoxyphosphorylhepta-1,2-diene
CID 16079428
6-Diethoxyphosphoryldeca-4,5-diene
CID 25215346
[(Z)-1-bromooct-1-enyl]-ethoxy-oxophosphanium
CID 134996460
1-Diethoxyphosphoryl-1-fluoroocta-1,2-diene
CID 10611631
6-Bromo-6-diethoxyphosphorylhex-1-ene
CID 10990199
(E)-1-bromo-1-diethoxyphosphorylhept-1-ene
CID 12963742
(E)-1-bromo-1-diethoxyphosphoryl-2-methylhex-1-ene
CID 10495361
(3E)-3-[bromo(diethoxyphosphoryl)methylidene]-1-deuterioheptane
CID 11209630
(1Z)-1-bromo-1-diethoxyphosphorylhexa-1,5-diene
CID 11738036

Frequently Asked Questions

What is the IUPAC name of (Z)-1-bromo-1-diethoxyphosphorylhept-1-ene?
The IUPAC name of (Z)-1-bromo-1-diethoxyphosphorylhept-1-ene (CID 12963741) is (Z)-1-bromo-1-diethoxyphosphorylhept-1-ene.
What is the SMILES notation for (Z)-1-bromo-1-diethoxyphosphorylhept-1-ene?
The canonical SMILES for (Z)-1-bromo-1-diethoxyphosphorylhept-1-ene is CCCCC/C=C(\Br)P(=O)(OCC)OCC.
What is the InChIKey of (Z)-1-bromo-1-diethoxyphosphorylhept-1-ene?
The InChIKey is RAGZRFKJZSCMKY-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H22BrO3P/c1-4-7-8-9-10-11(12)16(13,14-5-2)15-6-3/h10H,4-9H2,1-3H3/b11-10+.
What are the key properties of (Z)-1-bromo-1-diethoxyphosphorylhept-1-ene?
(Z)-1-bromo-1-diethoxyphosphorylhept-1-ene has a molecular weight of 313.17 g/mol, XLogP of 5.07, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-bromo-1-diethoxyphosphorylhept-1-ene is sourced from PubChem (CID 12963741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).