methanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane

C21H49O3P — CID 178136153

IUPACmethanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane
SMILESCC1CCCC(O)C1.CC1CCCC(OP)C1.CCC.CCC.CO
InChIInChI=1S/C7H15OP.C7H14O.2C3H8.CH4O/c1-6-3-2-4-7(5-6)8-9;1-6-3-2-4-7(8)5-6;2*1-3-2;1-2/h6-7H,2-5,9H2,1H3;6-8H,2-5H2,1H3;2*3H2,1-2H3;2H,1H3
InChIKeyUPTOCYCORIPVDE-UHFFFAOYSA-N
MW380.59 g/mol
LogP6.37
Rot. Bonds1

About methanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane

methanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane (PubChem CID 178136153) has the molecular formula C21H49O3P and a molecular weight of 380.59 g/mol. Its IUPAC name is methanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane.

Molecular Properties

Compound Namemethanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane
PubChem CID178136153
Molecular FormulaC21H49O3P
Molecular Weight380.59 g/mol
Exact Mass380.34
IUPAC Namemethanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane
SMILESCC1CCCC(O)C1.CC1CCCC(OP)C1.CCC.CCC.CO
InChIInChI=1S/C7H15OP.C7H14O.2C3H8.CH4O/c1-6-3-2-4-7(5-6)8-9;1-6-3-2-4-7(8)5-6;2*1-3-2;1-2/h6-7H,2-5,9H2,1H3;6-8H,2-5H2,1H3;2*3H2,1-2H3;2H,1H3
InChIKeyUPTOCYCORIPVDE-UHFFFAOYSA-N
XLogP6.37
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.59
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;(1R)-3-methylcyclohexan-1-ol
CID 145275507
methanamine;3-methylcyclohexan-1-ol
CID 174923816
3-methylcyclononan-1-ol
CID 143603449
(1S)-3-methylcyclopentadecan-1-ol
CID 177450802
3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane
CID 143832011
acetic acid;trans-(1S,3S)-3-methylcycloheptan-1-ol
CID 71423393
2-(3-methylcyclohexyl)oxyacetaldehyde;propane
CID 142809880
triethyl-[(3S)-3-methylcyclohexyl]oxysilane
CID 142748817
(3-methylcyclohexyl) 2,3-dihydroxypropanoate;propane
CID 143971653
3-[[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]methyl]cyclohexan-1-ol
CID 106132395
ethane;(3-methylcyclohexyl) 2-(dimethylamino)acetate;propane
CID 156718776
ethane;3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane;hydrate
CID 145159351

Frequently Asked Questions

What is the IUPAC name of methanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane?
The IUPAC name of methanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane (CID 178136153) is methanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane.
What is the SMILES notation for methanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane?
The canonical SMILES for methanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane is CC1CCCC(O)C1.CC1CCCC(OP)C1.CCC.CCC.CO.
What is the InChIKey of methanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane?
The InChIKey is UPTOCYCORIPVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15OP.C7H14O.2C3H8.CH4O/c1-6-3-2-4-7(5-6)8-9;1-6-3-2-4-7(8)5-6;2*1-3-2;1-2/h6-7H,2-5,9H2,1H3;6-8H,2-5H2,1H3;2*3H2,1-2H3;2H,1H3.
What are the key properties of methanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane?
methanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane has a molecular weight of 380.59 g/mol, XLogP of 6.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;3-methylcyclohexan-1-ol;(3-methylcyclohexyl)oxyphosphane;propane is sourced from PubChem (CID 178136153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).