(4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one

C9H14O2 — CID 102448097

IUPAC(4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one
SMILESCC(C)C[C@H]1C=COC(=O)C1
InChIInChI=1S/C9H14O2/c1-7(2)5-8-3-4-11-9(10)6-8/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyIYFLTXKKSZQXSK-MRVPVSSYSA-N
MW154.21 g/mol
LogP2.11
Rot. Bonds2

About (4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one

(4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one (PubChem CID 102448097) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one.

Molecular Properties

Compound Name(4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one
PubChem CID102448097
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one
SMILESCC(C)C[C@H]1C=COC(=O)C1
InChIInChI=1S/C9H14O2/c1-7(2)5-8-3-4-11-9(10)6-8/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1
InChIKeyIYFLTXKKSZQXSK-MRVPVSSYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Butyloxolon
CID 14322423
Ethyl 3-ethenylhexanoate
CID 10080811
Methyl 2-methylhept-6-enoate
CID 17825070
2-Allyl-hexanoic acid ethyl ester
CID 24978297
Methyl 3-ethenylhexanoate
CID 86203534
ethyl (2S)-2-prop-2-enylhexanoate
CID 11126953
Methyl 2-ethenyl-5-methylhept-6-enoate
CID 14062849
Methyl 2-allylcyclopropanecarboxylate
CID 24974091
Ethyl 3-ethenyl-2-methylhexanoate
CID 85185648
(4R)-4-hexyl-3,4-dihydropyran-2-one
CID 102448096
(4R)-4-prop-2-enyl-3,4-dihydropyran-2-one
CID 134966099
Spiro[cyclopentane-1,3'-pyran]-2'-one
CID 138373736

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one?
The IUPAC name of (4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one (CID 102448097) is (4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one.
What is the SMILES notation for (4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one?
The canonical SMILES for (4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one is CC(C)C[C@H]1C=COC(=O)C1.
What is the InChIKey of (4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one?
The InChIKey is IYFLTXKKSZQXSK-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(2)5-8-3-4-11-9(10)6-8/h3-4,7-8H,5-6H2,1-2H3/t8-/m1/s1.
What are the key properties of (4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one?
(4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one has a molecular weight of 154.21 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-methylpropyl)-3,4-dihydropyran-2-one is sourced from PubChem (CID 102448097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).