3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol

C18H34O5 — CID 175394347

IUPAC3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol
SMILESOCC(O)C(OC(C(O)CO)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H34O5/c19-11-15(21)17(13-7-3-1-4-8-13)23-18(16(22)12-20)14-9-5-2-6-10-14/h13-22H,1-12H2
InChIKeyQNHIQWCTDNNGMM-UHFFFAOYSA-N
MW330.47 g/mol
LogP1.61
Rot. Bonds8

About 3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol

3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol (PubChem CID 175394347) has the molecular formula C18H34O5 and a molecular weight of 330.47 g/mol. Its IUPAC name is 3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol
PubChem CID175394347
Molecular FormulaC18H34O5
Molecular Weight330.47 g/mol
Exact Mass330.24
IUPAC Name3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol
SMILESOCC(O)C(OC(C(O)CO)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H34O5/c19-11-15(21)17(13-7-3-1-4-8-13)23-18(16(22)12-20)14-9-5-2-6-10-14/h13-22H,1-12H2
InChIKeyQNHIQWCTDNNGMM-UHFFFAOYSA-N
XLogP1.61
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-cyclohexylethane-1,2-diol
CID 11789331
1-cyclohexyl-1-propan-2-yloxypropan-2-ol
CID 67782427
1-cyclohexyl-1-methoxy-4-methylpentan-2-ol
CID 116756323
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693
(1R,2R)-1-cyclohexyl-2-methylpropane-1,3-diol
CID 12709664
1-cyclohexyl-2-cyclopentylethane-1,2-diol
CID 103459295
(2R)-2-cyclohexylpropan-1-ol
CID 10176192
(2R,3R,4R)-5-(cyclooctylamino)pentane-1,2,3,4-tetrol
CID 127036001
(3R,4S)-4-amino-5-cyclohexylpentane-1,2,3-triol
CID 57086179
(2S,3S)-3-azido-4-cyclohexylbutane-1,2-diol
CID 11009289
2-cycloheptyloxy-1-cyclopentylethanol
CID 104753667
(2S)-2-cyclooctylbutan-1-ol
CID 122210665

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol?
The IUPAC name of 3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol (CID 175394347) is 3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol.
What is the SMILES notation for 3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol?
The canonical SMILES for 3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol is OCC(O)C(OC(C(O)CO)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol?
The InChIKey is QNHIQWCTDNNGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O5/c19-11-15(21)17(13-7-3-1-4-8-13)23-18(16(22)12-20)14-9-5-2-6-10-14/h13-22H,1-12H2.
What are the key properties of 3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol?
3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol has a molecular weight of 330.47 g/mol, XLogP of 1.61, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(1-cyclohexyl-2,3-dihydroxypropoxy)propane-1,2-diol is sourced from PubChem (CID 175394347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).