tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate

C12H23NO3 — CID 541819

IUPACtert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate
SMILESC=CCC(O)CC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-6-7-10(14)8-9(2)13-11(15)16-12(3,4)5/h6,9-10,14H,1,7-8H2,2-5H3,(H,13,15)
InChIKeyVWISHSNDVWDEGZ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.23
Rot. Bonds5

About tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate

tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate (PubChem CID 541819) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate
PubChem CID541819
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate
SMILESC=CCC(O)CC(C)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO3/c1-6-7-10(14)8-9(2)13-11(15)16-12(3,4)5/h6,9-10,14H,1,7-8H2,2-5H3,(H,13,15)
InChIKeyVWISHSNDVWDEGZ-UHFFFAOYSA-N
XLogP2.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E,5R,7R)-5-hydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]oct-2-enyl] methyl carbonate
CID 25231925
tert-butyl N-[(1S,3S)-3-hydroxy-1-phenylhex-5-enyl]carbamate
CID 102420533
tert-butyl N-(4-phenylhept-6-en-2-yl)carbamate
CID 141150308
2-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enoic acid
CID 146629748
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105
tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate
CID 172915809
(3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
CID 130420470
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoate
CID 638722
3-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoic acid
CID 53397925
(2R,3S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylbutanedioic acid
CID 18341300
tert-butyl N-(1-hydroxy-2-oxohex-5-en-3-yl)carbamate
CID 54147338
tert-butyl N-[(3R)-5-methylhex-1-en-3-yl]carbamate
CID 51357111

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate (CID 541819) is tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate is C=CCC(O)CC(C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate?
The InChIKey is VWISHSNDVWDEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-7-10(14)8-9(2)13-11(15)16-12(3,4)5/h6,9-10,14H,1,7-8H2,2-5H3,(H,13,15).
What are the key properties of tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate?
tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxyhept-6-en-2-yl)carbamate is sourced from PubChem (CID 541819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).