(6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate

C15H26O4 — CID 142247778

IUPAC(6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate
SMILESCC1CCCC(C(=O)OC2CCCC(C(C)C)O2)O1
InChIInChI=1S/C15H26O4/c1-10(2)12-7-5-9-14(18-12)19-15(16)13-8-4-6-11(3)17-13/h10-14H,4-9H2,1-3H3
InChIKeyIWSPYWGVYITGCH-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.04
Rot. Bonds3

About (6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate

(6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate (PubChem CID 142247778) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate.

Molecular Properties

Compound Name(6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate
PubChem CID142247778
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate
SMILESCC1CCCC(C(=O)OC2CCCC(C(C)C)O2)O1
InChIInChI=1S/C15H26O4/c1-10(2)12-7-5-9-14(18-12)19-15(16)13-8-4-6-11(3)17-13/h10-14H,4-9H2,1-3H3
InChIKeyIWSPYWGVYITGCH-UHFFFAOYSA-N
XLogP3.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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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Related Compounds

methyl (2S,4S,5R)-6-[(2S,3S)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate
CID 58083956
methyl (2S,4R,5R)-6-[(2S,3R)-3-fluoropentan-2-yl]-2-methoxy-4,5-dimethyloxane-2-carboxylate
CID 68028301
Methyl 2-cyclohexyl-2-(oxan-2-yloxy)acetate
CID 53874642
Methyl 3-cyclohexyl-2-(oxan-2-yloxy)propanoate
CID 54277354
Methyl (2R,4S)-2-tetrahydropyranyloxy-4-methylcaprylate
CID 57194080
1-[(3R,4R,6R)-6-[(3R,4R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]ethanone
CID 57712783
1-[(3R,4S,6R)-6-[(3S,5S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]ethanone
CID 57712847
1-[(3R,5S,6R)-6-[(3R,4R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-3,4,5-trimethyloxan-2-yl]ethanone
CID 57788603
[(3R,4S,6S)-3,4,5-trimethyl-6-[(2S,4S,5R)-3,4,5-trimethyl-6-(3-undecyltetradecanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 3-undecyltetradecanoate
CID 58422928
[(3R,4S,6S)-3,4,5-trimethyl-6-[(2S,4S,5R)-3,4,5-trimethyl-6-(2-undecyltridecanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 2-undecyltridecanoate
CID 58422929
[(3R,4S,6S)-3,4,5-trimethyl-6-[(2S,4S,5R)-3,4,5-trimethyl-6-(2-tridecylpentadecanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl 2-tridecylpentadecanoate
CID 58422931
[(3R,4S,6S)-6-[(2S,4S,5R)-6-(2-decyldodecanoyloxymethyl)-3,4,5-trimethyloxan-2-yl]oxy-3,4,5-trimethyloxan-2-yl]methyl 2-decyldodecanoate
CID 58422935

Frequently Asked Questions

What is the IUPAC name of (6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate?
The IUPAC name of (6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate (CID 142247778) is (6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate.
What is the SMILES notation for (6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate?
The canonical SMILES for (6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate is CC1CCCC(C(=O)OC2CCCC(C(C)C)O2)O1.
What is the InChIKey of (6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate?
The InChIKey is IWSPYWGVYITGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O4/c1-10(2)12-7-5-9-14(18-12)19-15(16)13-8-4-6-11(3)17-13/h10-14H,4-9H2,1-3H3.
What are the key properties of (6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate?
(6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-yloxan-2-yl) 6-methyloxane-2-carboxylate is sourced from PubChem (CID 142247778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).