hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane

C15H34P2 — CID 23501422

IUPAChexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane
SMILESCCCCCCP(C)CP(C)CCCCCC
InChIInChI=1S/C15H34P2/c1-5-7-9-11-13-16(3)15-17(4)14-12-10-8-6-2/h5-15H2,1-4H3
InChIKeyCAPAQROXQDDVDO-UHFFFAOYSA-N
MW276.38 g/mol
LogP6.33
Rot. Bonds12

About hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane

hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane (PubChem CID 23501422) has the molecular formula C15H34P2 and a molecular weight of 276.38 g/mol. Its IUPAC name is hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane.

Molecular Properties

Compound Namehexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane
PubChem CID23501422
Molecular FormulaC15H34P2
Molecular Weight276.38 g/mol
Exact Mass276.21
IUPAC Namehexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane
SMILESCCCCCCP(C)CP(C)CCCCCC
InChIInChI=1S/C15H34P2/c1-5-7-9-11-13-16(3)15-17(4)14-12-10-8-6-2/h5-15H2,1-4H3
InChIKeyCAPAQROXQDDVDO-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

methyl-di(tetradecyl)phosphane
CID 89485367
hexyl-methyl-octylphosphane
CID 22497581
diheptyl(methyl)phosphane
CID 22497718
heptyl(dimethyl)phosphane
CID 18386855
octacosane;sulfane
CID 157204687
tetrakis(dodecyl(dimethyl)phosphane);nickel
CID 161299550
hexadecyl(dimethyl)phosphane;hydrochloride
CID 173426692
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
methyl-[[methyl(propyl)phosphanyl]methyl]-propylphosphane;dihydrobromide
CID 173222667
hexyl-octyl-pentylphosphane
CID 90108526
chloro-hexyl-tetradecylphosphane
CID 141135276
bismuthane;trioctylphosphane
CID 174398286

Frequently Asked Questions

What is the IUPAC name of hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane?
The IUPAC name of hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane (CID 23501422) is hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane.
What is the SMILES notation for hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane?
The canonical SMILES for hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane is CCCCCCP(C)CP(C)CCCCCC.
What is the InChIKey of hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane?
The InChIKey is CAPAQROXQDDVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34P2/c1-5-7-9-11-13-16(3)15-17(4)14-12-10-8-6-2/h5-15H2,1-4H3.
What are the key properties of hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane?
hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane has a molecular weight of 276.38 g/mol, XLogP of 6.33, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane is sourced from PubChem (CID 23501422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).