tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate

C15H29NO3 — CID 91301754

IUPACtert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate
SMILESCC(O)C(C)CC=CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-12(13(2)17)10-8-6-7-9-11-16-14(18)19-15(3,4)5/h6,8,12-13,17H,7,9-11H2,1-5H3,(H,16,18)
InChIKeyVSQMZNGABWZVRF-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.25
Rot. Bonds7

About tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate

tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate (PubChem CID 91301754) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate
PubChem CID91301754
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Nametert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate
SMILESCC(O)C(C)CC=CCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H29NO3/c1-12(13(2)17)10-8-6-7-9-11-16-14(18)19-15(3,4)5/h6,8,12-13,17H,7,9-11H2,1-5H3,(H,16,18)
InChIKeyVSQMZNGABWZVRF-UHFFFAOYSA-N
XLogP3.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.25
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 N-[(4E,6Z)-7-methoxyhepta-4,6-dienyl]carbamate
CID 11160831
tert-butyl N-(5-hydroxyhexyl)carbamate
CID 130586251
ethyl (Z)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hex-2-enoate
CID 165352188
tert-butyl N-[(4S)-4,5-dihydroxypentyl]carbamate
CID 89422751
methyl N-[(E)-7-hydroxyoct-5-enyl]carbamate
CID 25188540
tert-butyl N-(6-hydroxy-5-methylhexyl)carbamate
CID 10868138
tert-butyl N-[2-[[(2R)-2-hydroxypropanoyl]amino]ethyl]carbamate
CID 134128297
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[3-(6-oxohexylamino)propyl]carbamate
CID 142525218
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentylazanium
CID 7019265
(E)-7-[(2-methylpropan-2-yl)oxycarbonylamino]hept-4-enoic acid
CID 10444454

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate?
The IUPAC name of tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate (CID 91301754) is tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate.
What is the SMILES notation for tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate?
The canonical SMILES for tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate is CC(O)C(C)CC=CCCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate?
The InChIKey is VSQMZNGABWZVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-12(13(2)17)10-8-6-7-9-11-16-14(18)19-15(3,4)5/h6,8,12-13,17H,7,9-11H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate?
tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate has a molecular weight of 271.40 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(8-hydroxy-7-methylnon-4-enyl)carbamate is sourced from PubChem (CID 91301754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).