3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane

C13H28O3 — CID 143832011

IUPAC3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane
SMILESCC1CCCC(OCC(O)CO)C1.CCC
InChIInChI=1S/C10H20O3.C3H8/c1-8-3-2-4-10(5-8)13-7-9(12)6-11;1-3-2/h8-12H,2-7H2,1H3;3H2,1-2H3
InChIKeyWAUFNQDXZZIHTP-UHFFFAOYSA-N
MW232.36 g/mol
LogP2.35
Rot. Bonds4

About 3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane

3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane (PubChem CID 143832011) has the molecular formula C13H28O3 and a molecular weight of 232.36 g/mol. Its IUPAC name is 3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane.

Molecular Properties

Compound Name3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane
PubChem CID143832011
Molecular FormulaC13H28O3
Molecular Weight232.36 g/mol
Exact Mass232.20
IUPAC Name3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane
SMILESCC1CCCC(OCC(O)CO)C1.CCC
InChIInChI=1S/C10H20O3.C3H8/c1-8-3-2-4-10(5-8)13-7-9(12)6-11;1-3-2/h8-12H,2-7H2,1H3;3H2,1-2H3
InChIKeyWAUFNQDXZZIHTP-UHFFFAOYSA-N
XLogP2.35
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane;hydrate
CID 145159351
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
CID 60634369
3-amino-4-(3-methylcyclohexyl)oxybutan-1-ol
CID 64900085
(3-methylcyclohexyl) 2,3-dihydroxypropanoate;propane
CID 143971653
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol
CID 104891895
1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 81394530
1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
CID 65106025
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol
CID 106159746
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane?
The IUPAC name of 3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane (CID 143832011) is 3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane.
What is the SMILES notation for 3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane?
The canonical SMILES for 3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane is CC1CCCC(OCC(O)CO)C1.CCC.
What is the InChIKey of 3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane?
The InChIKey is WAUFNQDXZZIHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3.C3H8/c1-8-3-2-4-10(5-8)13-7-9(12)6-11;1-3-2/h8-12H,2-7H2,1H3;3H2,1-2H3.
What are the key properties of 3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane?
3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane has a molecular weight of 232.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylcyclohexyl)oxypropane-1,2-diol;propane is sourced from PubChem (CID 143832011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).