1,1,2-tricyclohexyldodecylphosphane

C30H57P — CID 67839264

IUPAC1,1,2-tricyclohexyldodecylphosphane
SMILESCCCCCCCCCCC(C1CCCCC1)C(P)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H57P/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26)30(31,27-21-14-10-15-22-27)28-23-16-11-17-24-28/h26-29H,2-25,31H2,1H3
InChIKeySXISWBMYEFEEFA-UHFFFAOYSA-N
MW448.76 g/mol
LogP10.49
Rot. Bonds13

About 1,1,2-tricyclohexyldodecylphosphane

1,1,2-tricyclohexyldodecylphosphane (PubChem CID 67839264) has the molecular formula C30H57P and a molecular weight of 448.76 g/mol. Its IUPAC name is 1,1,2-tricyclohexyldodecylphosphane.

Molecular Properties

Compound Name1,1,2-tricyclohexyldodecylphosphane
PubChem CID67839264
Molecular FormulaC30H57P
Molecular Weight448.76 g/mol
Exact Mass448.42
IUPAC Name1,1,2-tricyclohexyldodecylphosphane
SMILESCCCCCCCCCCC(C1CCCCC1)C(P)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C30H57P/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26)30(31,27-21-14-10-15-22-27)28-23-16-11-17-24-28/h26-29H,2-25,31H2,1H3
InChIKeySXISWBMYEFEEFA-UHFFFAOYSA-N
XLogP10.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.76
LogP ≤ 510.49
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

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1-cyclohexylheptylcyclohexane
CID 16404
hexadecan-8-ylcyclohexane
CID 91510029
1-cycloheptyldecylcycloheptane
CID 20559033
undecan-5-ylcyclohexane
CID 524419
[(2S)-1,1,1-trifluorohexan-2-yl]cyclopentane
CID 95170510
1-cyclooctylundecan-1-ol
CID 80603651
1-cycloheptylheptan-1-amine
CID 65399314
(2-cyclohexyl-1,1-dimethoxydecyl)benzene
CID 150097969
3-cyclohexylnonan-3-ylphosphane
CID 174798619
1-cyclohexyldodecane-1,2-diol
CID 103459050

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tricyclohexyldodecylphosphane?
The IUPAC name of 1,1,2-tricyclohexyldodecylphosphane (CID 67839264) is 1,1,2-tricyclohexyldodecylphosphane.
What is the SMILES notation for 1,1,2-tricyclohexyldodecylphosphane?
The canonical SMILES for 1,1,2-tricyclohexyldodecylphosphane is CCCCCCCCCCC(C1CCCCC1)C(P)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1,2-tricyclohexyldodecylphosphane?
The InChIKey is SXISWBMYEFEEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H57P/c1-2-3-4-5-6-7-8-18-25-29(26-19-12-9-13-20-26)30(31,27-21-14-10-15-22-27)28-23-16-11-17-24-28/h26-29H,2-25,31H2,1H3.
What are the key properties of 1,1,2-tricyclohexyldodecylphosphane?
1,1,2-tricyclohexyldodecylphosphane has a molecular weight of 448.76 g/mol, XLogP of 10.49, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tricyclohexyldodecylphosphane is sourced from PubChem (CID 67839264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).