tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate

C21H37NO5 — CID 144515504

IUPACtert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CCCOC/C(C)=C\CC(O)C(C=C)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C21H37NO5/c1-8-13-22(20(24)27-21(4,5)6)14-10-15-26-16-17(3)11-12-18(23)19(9-2)25-7/h8-9,11,18-19,23H,1-2,10,12-16H2,3-7H3/b17-11-
InChIKeyMOGWBZZQTGQPIZ-BOPFTXTBSA-N
MW383.53 g/mol
LogP3.71
Rot. Bonds13

About tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate

tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate (PubChem CID 144515504) has the molecular formula C21H37NO5 and a molecular weight of 383.53 g/mol. Its IUPAC name is tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate
PubChem CID144515504
Molecular FormulaC21H37NO5
Molecular Weight383.53 g/mol
Exact Mass383.27
IUPAC Nametert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CCCOC/C(C)=C\CC(O)C(C=C)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C21H37NO5/c1-8-13-22(20(24)27-21(4,5)6)14-10-15-26-16-17(3)11-12-18(23)19(9-2)25-7/h8-9,11,18-19,23H,1-2,10,12-16H2,3-7H3/b17-11-
InChIKeyMOGWBZZQTGQPIZ-BOPFTXTBSA-N
XLogP3.71
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate with MolForge

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Related Compounds

1-[(7E,9S,10S,11R,12Z)-10-hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl]ethanone
CID 71236053
tert-butyl N-[3-(5-hydroxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy)propyl]-N-prop-2-enylcarbamate
CID 77987289
1-(10-Hydroxy-9-methoxy-11,13-dimethyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl)ethanone
CID 78044090
tert-butyl N-[3-[(2Z,4R,5S,6S)-5-hydroxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate
CID 89394331
tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate
CID 144515499
tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate;ethane
CID 144515505
tert-butyl N-[3-[(2Z,4R,5S)-5-hydroxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate
CID 71481428

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate (CID 144515504) is tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate is C=CCN(CCCOC/C(C)=C\CC(O)C(C=C)OC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate?
The InChIKey is MOGWBZZQTGQPIZ-BOPFTXTBSA-N. The full InChI is InChI=1S/C21H37NO5/c1-8-13-22(20(24)27-21(4,5)6)14-10-15-26-16-17(3)11-12-18(23)19(9-2)25-7/h8-9,11,18-19,23H,1-2,10,12-16H2,3-7H3/b17-11-.
What are the key properties of tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate?
tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate has a molecular weight of 383.53 g/mol, XLogP of 3.71, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 144515504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).