cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate

C15H26O4 — CID 58951526

IUPACcis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CCC[C@H](OC2CCCCO2)C1
InChIInChI=1S/C15H26O4/c1-11(2)18-15(16)12-6-5-7-13(10-12)19-14-8-3-4-9-17-14/h11-14H,3-10H2,1-2H3/t12-,13+,14?/m1/s1
InChIKeyZENSPEQKQUVYEI-AMIUJLCOSA-N
MW270.37 g/mol
LogP3.04
Rot. Bonds4

About cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate

cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate (PubChem CID 58951526) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namecis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate
PubChem CID58951526
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namecis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate
SMILESCC(C)OC(=O)[C@@H]1CCC[C@H](OC2CCCCO2)C1
InChIInChI=1S/C15H26O4/c1-11(2)18-15(16)12-6-5-7-13(10-12)19-14-8-3-4-9-17-14/h11-14H,3-10H2,1-2H3/t12-,13+,14?/m1/s1
InChIKeyZENSPEQKQUVYEI-AMIUJLCOSA-N
XLogP3.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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 cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate?
The IUPAC name of cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate (CID 58951526) is cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate.
What is the SMILES notation for cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate?
The canonical SMILES for cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate is CC(C)OC(=O)[C@@H]1CCC[C@H](OC2CCCCO2)C1.
What is the InChIKey of cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate?
The InChIKey is ZENSPEQKQUVYEI-AMIUJLCOSA-N. The full InChI is InChI=1S/C15H26O4/c1-11(2)18-15(16)12-6-5-7-13(10-12)19-14-8-3-4-9-17-14/h11-14H,3-10H2,1-2H3/t12-,13+,14?/m1/s1.
What are the key properties of cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate?
cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-propan-2-yl (1R,3S)-3-(oxan-2-yloxy)cyclohexane-1-carboxylate is sourced from PubChem (CID 58951526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).