5-butoxypentyl(methyl)phosphane

C10H23OP — CID 138478115

IUPAC5-butoxypentyl(methyl)phosphane
SMILESCCCCOCCCCCPC
InChIInChI=1S/C10H23OP/c1-3-4-8-11-9-6-5-7-10-12-2/h12H,3-10H2,1-2H3
InChIKeyBVBYNCHZVARHEL-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.28
Rot. Bonds9

About 5-butoxypentyl(methyl)phosphane

5-butoxypentyl(methyl)phosphane (PubChem CID 138478115) has the molecular formula C10H23OP and a molecular weight of 190.27 g/mol. Its IUPAC name is 5-butoxypentyl(methyl)phosphane.

Molecular Properties

Compound Name5-butoxypentyl(methyl)phosphane
PubChem CID138478115
Molecular FormulaC10H23OP
Molecular Weight190.27 g/mol
Exact Mass190.15
IUPAC Name5-butoxypentyl(methyl)phosphane
SMILESCCCCOCCCCCPC
InChIInChI=1S/C10H23OP/c1-3-4-8-11-9-6-5-7-10-12-2/h12H,3-10H2,1-2H3
InChIKeyBVBYNCHZVARHEL-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
methyl(tetradecyl)phosphane
CID 88708624
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-butoxydotriacontane
CID 91693232
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of 5-butoxypentyl(methyl)phosphane?
The IUPAC name of 5-butoxypentyl(methyl)phosphane (CID 138478115) is 5-butoxypentyl(methyl)phosphane.
What is the SMILES notation for 5-butoxypentyl(methyl)phosphane?
The canonical SMILES for 5-butoxypentyl(methyl)phosphane is CCCCOCCCCCPC.
What is the InChIKey of 5-butoxypentyl(methyl)phosphane?
The InChIKey is BVBYNCHZVARHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23OP/c1-3-4-8-11-9-6-5-7-10-12-2/h12H,3-10H2,1-2H3.
What are the key properties of 5-butoxypentyl(methyl)phosphane?
5-butoxypentyl(methyl)phosphane has a molecular weight of 190.27 g/mol, XLogP of 3.28, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxypentyl(methyl)phosphane is sourced from PubChem (CID 138478115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).