tert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate

C11H20O4 — CID 101494560

IUPACtert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate
SMILESC=CC[C@](O)(C(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C11H20O4/c1-6-7-11(14,8(2)12)9(13)15-10(3,4)5/h6,8,12,14H,1,7H2,2-5H3/t8-,11-/m1/s1
InChIKeyMIKHFBSOLZINQV-LDYMZIIASA-N
MW216.28 g/mol
LogP1.02
Rot. Bonds4

About tert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate

tert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate (PubChem CID 101494560) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate
PubChem CID101494560
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Nametert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate
SMILESC=CC[C@](O)(C(=O)OC(C)(C)C)[C@@H](C)O
InChIInChI=1S/C11H20O4/c1-6-7-11(14,8(2)12)9(13)15-10(3,4)5/h6,8,12,14H,1,7H2,2-5H3/t8-,11-/m1/s1
InChIKeyMIKHFBSOLZINQV-LDYMZIIASA-N
XLogP1.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

diethyl (2S,3R)-2-hydroxy-3-prop-2-enylbutanedioate
CID 12567690
(2S)-3-Allyl-2-hydroxysuccinic acid diethyl ester
CID 132969546
Ethyl 2-[1-(3-hydroxypropoxy)ethyl]-4-pentenoate
CID 14915897
1,6-Heptadiene-4-carboxylic acid, 4-hydroxy-, ethyl ester
CID 549745
methyl (2S,3R,4S)-2-allyl-2,3-dihydroxy-4-methylhexanoate
CID 10921914
methyl (2S)-2-hydroxy-2-(hydroxymethyl)pent-4-enoate
CID 101271098
methyl (2R)-2-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]pent-4-enoate
CID 101412857
propan-2-yl (2S,3R)-2-hydroxy-3-methylpent-4-enoate
CID 134916290
propan-2-yl (2R,3S)-2-hydroxy-3-methylpent-4-enoate
CID 134916416
propan-2-yl (2R,3R)-2-hydroxy-3-methylpent-4-enoate
CID 134916438
propan-2-yl (2S,3S)-2-hydroxy-3-methylpent-4-enoate
CID 134989148
Ethyl 2-ethyl-3-hydroxy-2-methoxypent-4-enoate
CID 146164314

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate?
The IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate (CID 101494560) is tert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate?
The canonical SMILES for tert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate is C=CC[C@](O)(C(=O)OC(C)(C)C)[C@@H](C)O.
What is the InChIKey of tert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate?
The InChIKey is MIKHFBSOLZINQV-LDYMZIIASA-N. The full InChI is InChI=1S/C11H20O4/c1-6-7-11(14,8(2)12)9(13)15-10(3,4)5/h6,8,12,14H,1,7H2,2-5H3/t8-,11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate?
tert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-hydroxy-2-[(1R)-1-hydroxyethyl]pent-4-enoate is sourced from PubChem (CID 101494560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).