2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol

C14H28O3 — CID 16734862

IUPAC2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
SMILESCC1CCC(C(C)C)C(OCC(C)(O)CO)C1
InChIInChI=1S/C14H28O3/c1-10(2)12-6-5-11(3)7-13(12)17-9-14(4,16)8-15/h10-13,15-16H,5-9H2,1-4H3
InChIKeyXCNCWOPROFTLGU-UHFFFAOYSA-N
MW244.37 g/mol
LogP2.21
Rot. Bonds5

About 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol

2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol (PubChem CID 16734862) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
PubChem CID16734862
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol
SMILESCC1CCC(C(C)C)C(OCC(C)(O)CO)C1
InChIInChI=1S/C14H28O3/c1-10(2)12-6-5-11(3)7-13(12)17-9-14(4,16)8-15/h10-13,15-16H,5-9H2,1-4H3
InChIKeyXCNCWOPROFTLGU-UHFFFAOYSA-N
XLogP2.21
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol?
The IUPAC name of 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol (CID 16734862) is 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol.
What is the SMILES notation for 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol?
The canonical SMILES for 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol is CC1CCC(C(C)C)C(OCC(C)(O)CO)C1.
What is the InChIKey of 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol?
The InChIKey is XCNCWOPROFTLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-10(2)12-6-5-11(3)7-13(12)17-9-14(4,16)8-15/h10-13,15-16H,5-9H2,1-4H3.
What are the key properties of 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol?
2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol has a molecular weight of 244.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropane-1,2-diol is sourced from PubChem (CID 16734862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).