[(2R)-5-methylhexan-2-yl] propanoate

C10H20O2 — CID 10877606

IUPAC[(2R)-5-methylhexan-2-yl] propanoate
SMILESCCC(=O)O[C@H](C)CCC(C)C
InChIInChI=1S/C10H20O2/c1-5-10(11)12-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyMMQCWDZOUYZGER-SECBINFHSA-N
MW172.27 g/mol
LogP2.76
Rot. Bonds5

About [(2R)-5-methylhexan-2-yl] propanoate

[(2R)-5-methylhexan-2-yl] propanoate (PubChem CID 10877606) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is [(2R)-5-methylhexan-2-yl] propanoate.

Molecular Properties

Compound Name[(2R)-5-methylhexan-2-yl] propanoate
PubChem CID10877606
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name[(2R)-5-methylhexan-2-yl] propanoate
SMILESCCC(=O)O[C@H](C)CCC(C)C
InChIInChI=1S/C10H20O2/c1-5-10(11)12-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3/t9-/m1/s1
InChIKeyMMQCWDZOUYZGER-SECBINFHSA-N
XLogP2.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

hexan-2-yl propanoate
CID 54289868
[(2S)-dodecan-2-yl] propanoate
CID 162853259
hexadecan-2-yl propanoate
CID 154494346
10-hydroxydecan-2-yl propanoate
CID 123501061
4-methoxybutan-2-yl propanoate
CID 145115324
6-methylhept-5-en-2-yl propanoate
CID 3020294
5-O-(5-methylhexan-2-yl) 1-O-propyl pentanedioate
CID 91708312
butan-2-yl propanoate;sulfur dioxide
CID 159892772
3-propanoyloxybutan-2-yl propanoate
CID 14494224
4-O-(5-methylhexan-2-yl) 1-O-tridecyl butanedioate
CID 91710549
propanoyl 4-methylpentanoate
CID 175419414
[(2S,3S)-3,10-dimethylundecan-2-yl] propanoate
CID 11747242

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-methylhexan-2-yl] propanoate?
The IUPAC name of [(2R)-5-methylhexan-2-yl] propanoate (CID 10877606) is [(2R)-5-methylhexan-2-yl] propanoate.
What is the SMILES notation for [(2R)-5-methylhexan-2-yl] propanoate?
The canonical SMILES for [(2R)-5-methylhexan-2-yl] propanoate is CCC(=O)O[C@H](C)CCC(C)C.
What is the InChIKey of [(2R)-5-methylhexan-2-yl] propanoate?
The InChIKey is MMQCWDZOUYZGER-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O2/c1-5-10(11)12-9(4)7-6-8(2)3/h8-9H,5-7H2,1-4H3/t9-/m1/s1.
What are the key properties of [(2R)-5-methylhexan-2-yl] propanoate?
[(2R)-5-methylhexan-2-yl] propanoate has a molecular weight of 172.27 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-methylhexan-2-yl] propanoate is sourced from PubChem (CID 10877606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).