6-diethoxyphosphorylhex-1-ene

C10H21O3P — CID 10466042

IUPAC6-diethoxyphosphorylhex-1-ene
SMILESC=CCCCCP(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h4H,1,5-10H2,2-3H3
InChIKeyZSKVYKSPOGYRRQ-UHFFFAOYSA-N
MW220.25 g/mol
LogP3.61
Rot. Bonds9

About 6-diethoxyphosphorylhex-1-ene

6-diethoxyphosphorylhex-1-ene (PubChem CID 10466042) has the molecular formula C10H21O3P and a molecular weight of 220.25 g/mol. Its IUPAC name is 6-diethoxyphosphorylhex-1-ene.

Molecular Properties

Compound Name6-diethoxyphosphorylhex-1-ene
PubChem CID10466042
Molecular FormulaC10H21O3P
Molecular Weight220.25 g/mol
Exact Mass220.12
IUPAC Name6-diethoxyphosphorylhex-1-ene
SMILESC=CCCCCP(=O)(OCC)OCC
InChIInChI=1S/C10H21O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h4H,1,5-10H2,2-3H3
InChIKeyZSKVYKSPOGYRRQ-UHFFFAOYSA-N
XLogP3.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-diethoxyphosphorylhex-1-ene?
The IUPAC name of 6-diethoxyphosphorylhex-1-ene (CID 10466042) is 6-diethoxyphosphorylhex-1-ene.
What is the SMILES notation for 6-diethoxyphosphorylhex-1-ene?
The canonical SMILES for 6-diethoxyphosphorylhex-1-ene is C=CCCCCP(=O)(OCC)OCC.
What is the InChIKey of 6-diethoxyphosphorylhex-1-ene?
The InChIKey is ZSKVYKSPOGYRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O3P/c1-4-7-8-9-10-14(11,12-5-2)13-6-3/h4H,1,5-10H2,2-3H3.
What are the key properties of 6-diethoxyphosphorylhex-1-ene?
6-diethoxyphosphorylhex-1-ene has a molecular weight of 220.25 g/mol, XLogP of 3.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-diethoxyphosphorylhex-1-ene is sourced from PubChem (CID 10466042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).