(1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane

C25H47O3P — CID 174947104

IUPAC(1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane
SMILESCCCCCCCCCCCCCCC1(P)C2(C)CC3(C)OC(C)(CC1(C)O3)O2
InChIInChI=1S/C25H47O3P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)21(2)19-23(4)27-22(25,3)20-24(5,26-21)28-23/h6-20,29H2,1-5H3
InChIKeyDVMJDRPMTRNJLB-UHFFFAOYSA-N
MW426.62 g/mol
LogP7.51
Rot. Bonds13

About (1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane

(1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane (PubChem CID 174947104) has the molecular formula C25H47O3P and a molecular weight of 426.62 g/mol. Its IUPAC name is (1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane.

Molecular Properties

Compound Name(1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane
PubChem CID174947104
Molecular FormulaC25H47O3P
Molecular Weight426.62 g/mol
Exact Mass426.33
IUPAC Name(1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane
SMILESCCCCCCCCCCCCCCC1(P)C2(C)CC3(C)OC(C)(CC1(C)O3)O2
InChIInChI=1S/C25H47O3P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)21(2)19-23(4)27-22(25,3)20-24(5,26-21)28-23/h6-20,29H2,1-5H3
InChIKeyDVMJDRPMTRNJLB-UHFFFAOYSA-N
XLogP7.51
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.62
LogP ≤ 57.51
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

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CID 102407853
2-heptyl-2,3,3-trimethyloxirane
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1-hexyl-1,2,2-trimethylcyclopropane
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(3-docosyl-2-ethyl-3-methyloxiran-2-yl)azanium chloride
CID 141357759
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
(3,3-dimethyl-2-undecyloxiran-2-yl)azanium bromide
CID 141364234
3-hexyl-2,2,5,5-tetramethyloxolan-3-ol
CID 79928233
2-hexadecyl-2-methyloxirane
CID 87444144
2-methyl-2-nonadecyloxirane
CID 87754306
2-icosyl-2-methyloxirane
CID 87753382
azanium;2,2,3-trimethyl-3-octadecyloxirane;chloride
CID 160540589
3-methyl-3-octyloxetane
CID 162658167

Frequently Asked Questions

What is the IUPAC name of (1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane?
The IUPAC name of (1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane (CID 174947104) is (1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane.
What is the SMILES notation for (1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane?
The canonical SMILES for (1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane is CCCCCCCCCCCCCCC1(P)C2(C)CC3(C)OC(C)(CC1(C)O3)O2.
What is the InChIKey of (1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane?
The InChIKey is DVMJDRPMTRNJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47O3P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(29)21(2)19-23(4)27-22(25,3)20-24(5,26-21)28-23/h6-20,29H2,1-5H3.
What are the key properties of (1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane?
(1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane has a molecular weight of 426.62 g/mol, XLogP of 7.51, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3,5,7-tetramethyl-8-tetradecyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-8-yl)phosphane is sourced from PubChem (CID 174947104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).