bis(2-cyclohexyloxypropyl) hydrogen phosphate

C18H35O6P — CID 140502091

IUPACbis(2-cyclohexyloxypropyl) hydrogen phosphate
SMILESCC(COP(=O)(O)OCC(C)OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C18H35O6P/c1-15(23-17-9-5-3-6-10-17)13-21-25(19,20)22-14-16(2)24-18-11-7-4-8-12-18/h15-18H,3-14H2,1-2H3,(H,19,20)
InChIKeyRNADOBIDMFVFQQ-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.60
Rot. Bonds10

About bis(2-cyclohexyloxypropyl) hydrogen phosphate

bis(2-cyclohexyloxypropyl) hydrogen phosphate (PubChem CID 140502091) has the molecular formula C18H35O6P and a molecular weight of 378.45 g/mol. Its IUPAC name is bis(2-cyclohexyloxypropyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2-cyclohexyloxypropyl) hydrogen phosphate
PubChem CID140502091
Molecular FormulaC18H35O6P
Molecular Weight378.45 g/mol
Exact Mass378.22
IUPAC Namebis(2-cyclohexyloxypropyl) hydrogen phosphate
SMILESCC(COP(=O)(O)OCC(C)OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C18H35O6P/c1-15(23-17-9-5-3-6-10-17)13-21-25(19,20)22-14-16(2)24-18-11-7-4-8-12-18/h15-18H,3-14H2,1-2H3,(H,19,20)
InChIKeyRNADOBIDMFVFQQ-UHFFFAOYSA-N
XLogP4.60
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1-cyclohexyloxypropan-2-yloxy)propan-2-yloxycyclohexane
CID 139806384
4-cycloheptyloxypentanehydrazide
CID 63571096
methyl 3-cyclohexyloxybutanoate
CID 43612104
1-[2-acetyloxypropoxy(hydroxy)phosphoryl]oxypropan-2-yl acetate
CID 21023155
cyclohexyl nonyl hydrogen phosphate
CID 163645473
N-(2-cycloheptyloxypropyl)cyclopropanamine
CID 62460037
propan-2-yloxycycloundecane
CID 91254526
bis(2-methylheptadecyl) hydrogen phosphate
CID 102070249
1-propan-2-yloxyethoxycycloundecane
CID 21496393
(4S)-4-cyclopentyloxy-2-methylheptan-3-one
CID 176614620
[(2S)-2-hydroxypropyl] [(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate
CID 102506295
(1-cyclohexyloxy-2-methylpropoxy)cyclohexane
CID 20788615

Frequently Asked Questions

What is the IUPAC name of bis(2-cyclohexyloxypropyl) hydrogen phosphate?
The IUPAC name of bis(2-cyclohexyloxypropyl) hydrogen phosphate (CID 140502091) is bis(2-cyclohexyloxypropyl) hydrogen phosphate.
What is the SMILES notation for bis(2-cyclohexyloxypropyl) hydrogen phosphate?
The canonical SMILES for bis(2-cyclohexyloxypropyl) hydrogen phosphate is CC(COP(=O)(O)OCC(C)OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of bis(2-cyclohexyloxypropyl) hydrogen phosphate?
The InChIKey is RNADOBIDMFVFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35O6P/c1-15(23-17-9-5-3-6-10-17)13-21-25(19,20)22-14-16(2)24-18-11-7-4-8-12-18/h15-18H,3-14H2,1-2H3,(H,19,20).
What are the key properties of bis(2-cyclohexyloxypropyl) hydrogen phosphate?
bis(2-cyclohexyloxypropyl) hydrogen phosphate has a molecular weight of 378.45 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyclohexyloxypropyl) hydrogen phosphate is sourced from PubChem (CID 140502091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).