tris(2,6-dimethoxycyclohexyl)phosphane

C24H45O6P — CID 44558720

IUPACtris(2,6-dimethoxycyclohexyl)phosphane
SMILESCOC1CCCC(OC)C1P(C1C(OC)CCCC1OC)C1C(OC)CCCC1OC
InChIInChI=1S/C24H45O6P/c1-25-16-10-7-11-17(26-2)22(16)31(23-18(27-3)12-8-13-19(23)28-4)24-20(29-5)14-9-15-21(24)30-6/h16-24H,7-15H2,1-6H3
InChIKeyQLHVJZCCQFFXNM-UHFFFAOYSA-N
MW460.59 g/mol
LogP4.22
Rot. Bonds9

About tris(2,6-dimethoxycyclohexyl)phosphane

tris(2,6-dimethoxycyclohexyl)phosphane (PubChem CID 44558720) has the molecular formula C24H45O6P and a molecular weight of 460.59 g/mol. Its IUPAC name is tris(2,6-dimethoxycyclohexyl)phosphane.

Molecular Properties

Compound Nametris(2,6-dimethoxycyclohexyl)phosphane
PubChem CID44558720
Molecular FormulaC24H45O6P
Molecular Weight460.59 g/mol
Exact Mass460.30
IUPAC Nametris(2,6-dimethoxycyclohexyl)phosphane
SMILESCOC1CCCC(OC)C1P(C1C(OC)CCCC1OC)C1C(OC)CCCC1OC
InChIInChI=1S/C24H45O6P/c1-25-16-10-7-11-17(26-2)22(16)31(23-18(27-3)12-8-13-19(23)28-4)24-20(29-5)14-9-15-21(24)30-6/h16-24H,7-15H2,1-6H3
InChIKeyQLHVJZCCQFFXNM-UHFFFAOYSA-N
XLogP4.22
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2S)-1,2-dimethoxycyclopentane
CID 21122335
trans-(1S,2S)-2-methoxy-N-methylcyclopentan-1-amine
CID 58216275
1,8-dimethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 175940017
ethane;1-methoxy-2-methylcyclopentane
CID 142110191
ethane;2-methoxycyclopentan-1-ol
CID 177178786
cis-(1R,2R)-1-methoxy-2-propan-2-ylcyclopentane
CID 137449477
trans-(1S,2S)-2-methoxy-N,N-dimethylcyclopentan-1-amine
CID 129113118
(1S,2S,3R)-3-methoxycyclohexane-1,2-diamine
CID 89131263
1-methoxy-2-propan-2-yloxycyclopentane
CID 77170188
trans-(1R,2R)-1-methoxy-2-methylcyclohexane
CID 12546407
(6R)-2-methoxy-7-oxabicyclo[4.1.0]heptane
CID 126699218
1-methoxy-2,6,9-trimethylcyclododecane
CID 70879863

Frequently Asked Questions

What is the IUPAC name of tris(2,6-dimethoxycyclohexyl)phosphane?
The IUPAC name of tris(2,6-dimethoxycyclohexyl)phosphane (CID 44558720) is tris(2,6-dimethoxycyclohexyl)phosphane.
What is the SMILES notation for tris(2,6-dimethoxycyclohexyl)phosphane?
The canonical SMILES for tris(2,6-dimethoxycyclohexyl)phosphane is COC1CCCC(OC)C1P(C1C(OC)CCCC1OC)C1C(OC)CCCC1OC.
What is the InChIKey of tris(2,6-dimethoxycyclohexyl)phosphane?
The InChIKey is QLHVJZCCQFFXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45O6P/c1-25-16-10-7-11-17(26-2)22(16)31(23-18(27-3)12-8-13-19(23)28-4)24-20(29-5)14-9-15-21(24)30-6/h16-24H,7-15H2,1-6H3.
What are the key properties of tris(2,6-dimethoxycyclohexyl)phosphane?
tris(2,6-dimethoxycyclohexyl)phosphane has a molecular weight of 460.59 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,6-dimethoxycyclohexyl)phosphane is sourced from PubChem (CID 44558720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).