tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate

C15H27NO3 — CID 90830205

IUPACtert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate
SMILESC=CC(=CC)CC(NC(=O)OC(C)(C)C)C(O)CC
InChIInChI=1S/C15H27NO3/c1-7-11(8-2)10-12(13(17)9-3)16-14(18)19-15(4,5)6/h7-8,12-13,17H,1,9-10H2,2-6H3,(H,16,18)
InChIKeyYCLSGJOVFQOEHD-UHFFFAOYSA-N
MW269.38 g/mol
LogP3.17
Rot. Bonds6

About tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate

tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate (PubChem CID 90830205) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate
PubChem CID90830205
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Nametert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate
SMILESC=CC(=CC)CC(NC(=O)OC(C)(C)C)C(O)CC
InChIInChI=1S/C15H27NO3/c1-7-11(8-2)10-12(13(17)9-3)16-14(18)19-15(4,5)6/h7-8,12-13,17H,1,9-10H2,2-6H3,(H,16,18)
InChIKeyYCLSGJOVFQOEHD-UHFFFAOYSA-N
XLogP3.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1-hydroxyhex-4-en-2-yl)carbamate
CID 75431956
tert-butyl N-((1S,5S)-5-hydroxycyclohex-3-en-1-yl)carbamate
CID 165453947
tert-butyl N-[(1R,5R)-5-hydroxycyclohex-3-en-1-yl]carbamate
CID 165880309
tert-butyl N-[(3S,4S,5S)-5-hydroxy-3-methyloct-7-en-4-yl]carbamate
CID 10634903
tert-butyl N-[(E,3S,4R)-3,8-dihydroxyoct-5-en-4-yl]carbamate
CID 11184515
tert-butyl N-[(4S,5S)-5-hydroxyhept-1-en-4-yl]carbamate
CID 25137290
tert-butyl N-[(2S,3S,4Z)-3-hydroxyhepta-4,6-dien-2-yl]carbamate
CID 102412243
tert-butyl N-[(2S,3R)-1-hydroxy-3,5-dimethylhex-4-en-2-yl]carbamate
CID 130752711
tert-butyl N-[(1S,2R)-2-hydroxycyclohex-3-en-1-yl]carbamate
CID 131070621
tert-butyl N-[(4S,5S)-5-hydroxy-3-methyloct-7-en-4-yl]carbamate
CID 139263757
tert-butyl N-[(E,2S)-8-fluoro-1-hydroxynon-7-en-2-yl]carbamate
CID 102215825
tert-butyl N-[(E,2S)-1-hydroxy-3-[4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]hex-4-en-2-yl]carbamate
CID 162583373

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate?
The IUPAC name of tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate (CID 90830205) is tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate is C=CC(=CC)CC(NC(=O)OC(C)(C)C)C(O)CC.
What is the InChIKey of tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate?
The InChIKey is YCLSGJOVFQOEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-7-11(8-2)10-12(13(17)9-3)16-14(18)19-15(4,5)6/h7-8,12-13,17H,1,9-10H2,2-6H3,(H,16,18).
What are the key properties of tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate?
tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate has a molecular weight of 269.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-ethenyl-3-hydroxyoct-6-en-4-yl)carbamate is sourced from PubChem (CID 90830205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).