methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate

C15H26O4 — CID 54277354

IUPACmethyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate
SMILESCOC(=O)C(CC1CCCCC1)OC1CCCCO1
InChIInChI=1S/C15H26O4/c1-17-15(16)13(11-12-7-3-2-4-8-12)19-14-9-5-6-10-18-14/h12-14H,2-11H2,1H3
InChIKeyROIDDNRWJPPADA-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.04
Rot. Bonds5

About methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate

methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate (PubChem CID 54277354) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate
PubChem CID54277354
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namemethyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate
SMILESCOC(=O)C(CC1CCCCC1)OC1CCCCO1
InChIInChI=1S/C15H26O4/c1-17-15(16)13(11-12-7-3-2-4-8-12)19-14-9-5-6-10-18-14/h12-14H,2-11H2,1H3
InChIKeyROIDDNRWJPPADA-UHFFFAOYSA-N
XLogP3.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate?
The IUPAC name of methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate (CID 54277354) is methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate.
What is the SMILES notation for methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate?
The canonical SMILES for methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate is COC(=O)C(CC1CCCCC1)OC1CCCCO1.
What is the InChIKey of methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate?
The InChIKey is ROIDDNRWJPPADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-17-15(16)13(11-12-7-3-2-4-8-12)19-14-9-5-6-10-18-14/h12-14H,2-11H2,1H3.
What are the key properties of methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate?
methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate has a molecular weight of 270.37 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate is sourced from PubChem (CID 54277354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).