tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate

C12H23NO3 — CID 53248526

IUPACtert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate
SMILESC=CC[C@H](O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-5-7-10(14)8-6-9-13-11(15)16-12(2,3)4/h5,10,14H,1,6-9H2,2-4H3,(H,13,15)/t10-/m0/s1
InChIKeyHVBSLDMKCGDAKB-JTQLQIEISA-N
MW229.32 g/mol
LogP2.23
Rot. Bonds6

About tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate

tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate (PubChem CID 53248526) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate
PubChem CID53248526
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate
SMILESC=CC[C@H](O)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-5-7-10(14)8-6-9-13-11(15)16-12(2,3)4/h5,10,14H,1,6-9H2,2-4H3,(H,13,15)/t10-/m0/s1
InChIKeyHVBSLDMKCGDAKB-JTQLQIEISA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 3-hydroxypent-4-enylcarbamate
CID 10867362
tert-butyl N-[(2S)-3-hydroxyhex-5-en-2-yl]carbamate
CID 131165381
tert-butyl N-[(3R)-3-hydroxypent-4-enyl]carbamate
CID 11805749
tert-butyl N-[(4S)-4-hydroxyhept-6-enyl]carbamate
CID 24949506
tert-butyl N-[(4S)-4-(methoxymethoxy)hept-6-enyl]carbamate
CID 24949507
tert-butyl N-[(4S,5S)-5-hydroxyhept-1-en-4-yl]carbamate
CID 25137290
tert-butyl N-[(2R,4R)-4-hydroxyhept-6-en-2-yl]carbamate
CID 25231923
tert-butyl N-(4-hydroxyhex-1-en-3-yl)carbamate
CID 129987168
1-Hexen-4-ol, 5-[(tert-butyloxycarbonyl)amino]-
CID 541657
1-Hepten-4-ol, 6-[(tert-butyloxycarbonyl)amino]-
CID 541819
tert-butyl N-(4-hydroxy-2-methylhept-6-en-3-yl)carbamate
CID 14805606
tert-butyl N-[(2S,3R)-1,3-dihydroxyhept-6-en-2-yl]carbamate
CID 130670481

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate?
The IUPAC name of tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate (CID 53248526) is tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate is C=CC[C@H](O)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate?
The InChIKey is HVBSLDMKCGDAKB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-7-10(14)8-6-9-13-11(15)16-12(2,3)4/h5,10,14H,1,6-9H2,2-4H3,(H,13,15)/t10-/m0/s1.
What are the key properties of tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate?
tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4R)-4-hydroxyhept-6-enyl]carbamate is sourced from PubChem (CID 53248526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).