tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate

C11H21NO4 — CID 86601015

IUPACtert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate
SMILESC=CC(C)(O)C(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-6-11(5,15)8(7-13)12-9(14)16-10(2,3)4/h6,8,13,15H,1,7H2,2-5H3,(H,12,14)
InChIKeyFGBQVKKTQYCHPV-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.81
Rot. Bonds4

About tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate

tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate (PubChem CID 86601015) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate
PubChem CID86601015
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Nametert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate
SMILESC=CC(C)(O)C(CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-6-11(5,15)8(7-13)12-9(14)16-10(2,3)4/h6,8,13,15H,1,7H2,2-5H3,(H,12,14)
InChIKeyFGBQVKKTQYCHPV-UHFFFAOYSA-N
XLogP0.81
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(2S)-1-hydroxy-3,3-dimethylhex-5-en-2-yl]carbamate
CID 163276049
tert-butyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 5067288
tert-butyl N-(1-hydroxy-3-methoxy-3-methylhex-5-en-2-yl)carbamate
CID 20744613
tert-butyl N-(3-ethoxy-1-hydroxy-3-methylbutan-2-yl)carbamate
CID 87529067
tert-butyl N-[(3S)-4-hydroxy-4-prop-2-enylhept-6-en-3-yl]carbamate
CID 155776271
tert-butyl N-[(3S,4S)-4,5-dihydroxypent-1-en-3-yl]carbamate
CID 10878590
tert-butyl N-[(3S)-1-hydroxy-2-sulfanylhex-5-en-3-yl]carbamate
CID 89204455
tert-butyl N-[(2S)-3-hydroxy-1-oxo-1-(prop-2-enylamino)propan-2-yl]carbamate
CID 10610298
tert-butyl N-[(2S,3R)-3-hydroxy-3-methylhex-5-en-2-yl]carbamate
CID 58522437
methyl N-(1-hydroxy-3,3-dimethylbutan-2-yl)carbamate
CID 123513479
tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate
CID 51898096
tert-butyl N-(1-hydroxybutan-2-yl)carbamate
CID 15339785

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate?
The IUPAC name of tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate (CID 86601015) is tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate is C=CC(C)(O)C(CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate?
The InChIKey is FGBQVKKTQYCHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-6-11(5,15)8(7-13)12-9(14)16-10(2,3)4/h6,8,13,15H,1,7H2,2-5H3,(H,12,14).
What are the key properties of tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate?
tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate has a molecular weight of 231.29 g/mol, XLogP of 0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,3-dihydroxy-3-methylpent-4-en-2-yl)carbamate is sourced from PubChem (CID 86601015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).