pentan-3-yl (3S)-3-hydroxypentanoate

C10H20O3 — CID 11116800

IUPACpentan-3-yl (3S)-3-hydroxypentanoate
SMILESCCC(CC)OC(=O)C[C@@H](O)CC
InChIInChI=1S/C10H20O3/c1-4-8(11)7-10(12)13-9(5-2)6-3/h8-9,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyYFZBBCYCQJNHBE-QMMMGPOBSA-N
MW188.27 g/mol
LogP1.88
Rot. Bonds6

About pentan-3-yl (3S)-3-hydroxypentanoate

pentan-3-yl (3S)-3-hydroxypentanoate (PubChem CID 11116800) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is pentan-3-yl (3S)-3-hydroxypentanoate.

Molecular Properties

Compound Namepentan-3-yl (3S)-3-hydroxypentanoate
PubChem CID11116800
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Namepentan-3-yl (3S)-3-hydroxypentanoate
SMILESCCC(CC)OC(=O)C[C@@H](O)CC
InChIInChI=1S/C10H20O3/c1-4-8(11)7-10(12)13-9(5-2)6-3/h8-9,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyYFZBBCYCQJNHBE-QMMMGPOBSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-bis(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate
CID 18724217
methyl 3-hydroxybutanoate;methyl 3-(3-hydroxybutanoyloxy)pentanoate;methyl 3-hydroxypentanoate
CID 160689312
3-(3-hydroxypentanoyloxy)-4-(trimethylazaniumyl)butanoate
CID 118194969
2-(3-hydroxypentanoyloxy)propyl 3-hydroxypentanoate
CID 58301431
2-(3-sulfanylbutanoyloxy)butyl 3-sulfanylbutanoate
CID 87758917
3-hydroxypentanoic acid;methanol
CID 174973747
pentan-3-yl (E)-hex-3-enoate
CID 20667360
ditetradecan-3-yl 2-hydroxybutanedioate
CID 142738536
3-[3-[3-(3-hydroxyheptanoyloxy)hexanoyloxy]pentanoyloxy]butanoic acid
CID 87327032
3-(3-hydroxydecanoyloxy)hexadecanoic acid
CID 139584015
3-(3-hydroxydecanoyloxy)tetradecanoic acid
CID 139584018
3-(3-hydroxyoctadecanoyloxy)decanoic acid
CID 175031364

Frequently Asked Questions

What is the IUPAC name of pentan-3-yl (3S)-3-hydroxypentanoate?
The IUPAC name of pentan-3-yl (3S)-3-hydroxypentanoate (CID 11116800) is pentan-3-yl (3S)-3-hydroxypentanoate.
What is the SMILES notation for pentan-3-yl (3S)-3-hydroxypentanoate?
The canonical SMILES for pentan-3-yl (3S)-3-hydroxypentanoate is CCC(CC)OC(=O)C[C@@H](O)CC.
What is the InChIKey of pentan-3-yl (3S)-3-hydroxypentanoate?
The InChIKey is YFZBBCYCQJNHBE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20O3/c1-4-8(11)7-10(12)13-9(5-2)6-3/h8-9,11H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of pentan-3-yl (3S)-3-hydroxypentanoate?
pentan-3-yl (3S)-3-hydroxypentanoate has a molecular weight of 188.27 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-yl (3S)-3-hydroxypentanoate is sourced from PubChem (CID 11116800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).