[2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane

C16H35O2P — CID 138550282

IUPAC[2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane
SMILESCCCCCCC(C)(C)OC(C)(P)CCOC(C)C
InChIInChI=1S/C16H35O2P/c1-7-8-9-10-11-15(4,5)18-16(6,19)12-13-17-14(2)3/h14H,7-13,19H2,1-6H3
InChIKeyCQJQSOKDVQRNFS-UHFFFAOYSA-N
MW290.43 g/mol
LogP5.16
Rot. Bonds11

About [2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane

[2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane (PubChem CID 138550282) has the molecular formula C16H35O2P and a molecular weight of 290.43 g/mol. Its IUPAC name is [2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane.

Molecular Properties

Compound Name[2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane
PubChem CID138550282
Molecular FormulaC16H35O2P
Molecular Weight290.43 g/mol
Exact Mass290.24
IUPAC Name[2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane
SMILESCCCCCCC(C)(C)OC(C)(P)CCOC(C)C
InChIInChI=1S/C16H35O2P/c1-7-8-9-10-11-15(4,5)18-16(6,19)12-13-17-14(2)3/h14H,7-13,19H2,1-6H3
InChIKeyCQJQSOKDVQRNFS-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.43
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane
CID 88972268
2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane
CID 122422564
2-methylnonan-2-yl dihydrogen phosphite
CID 23352949
1-(4-propan-2-yloxybutoxy)tetradecane
CID 167327232
2-dodecoxy-2-methyltetradecane
CID 158074564
N-(4-propan-2-yloxybutyl)decan-1-amine
CID 106007607
2-methylicosan-2-yloxysilane
CID 173002328
2-methyl-N-propan-2-yl-2-(2-propan-2-yloxyethyl)pentan-1-amine
CID 62723212
methane;1-propan-2-yloxybutane
CID 158518476
1-propan-2-yloxybutane;zirconium
CID 174617524
2-hydroperoxy-2-methyltridecane
CID 140639786
(2-methyl-3-propan-2-ylnonan-3-yl)phosphane
CID 118892700

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane?
The IUPAC name of [2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane (CID 138550282) is [2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane.
What is the SMILES notation for [2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane?
The canonical SMILES for [2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane is CCCCCCC(C)(C)OC(C)(P)CCOC(C)C.
What is the InChIKey of [2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane?
The InChIKey is CQJQSOKDVQRNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O2P/c1-7-8-9-10-11-15(4,5)18-16(6,19)12-13-17-14(2)3/h14H,7-13,19H2,1-6H3.
What are the key properties of [2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane?
[2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane has a molecular weight of 290.43 g/mol, XLogP of 5.16, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyloctan-2-yloxy)-4-propan-2-yloxybutan-2-yl]phosphane is sourced from PubChem (CID 138550282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).