ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate

C14H27NO4 — CID 14979883

IUPACethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate
SMILESCCOC(=O)NC(CC/C(C)=C\COC)C(C)(C)O
InChIInChI=1S/C14H27NO4/c1-6-19-13(16)15-12(14(3,4)17)8-7-11(2)9-10-18-5/h9,12,17H,6-8,10H2,1-5H3,(H,15,16)/b11-9-
InChIKeyGJSXVMIJKBRWCA-LUAWRHEFSA-N
MW273.37 g/mol
LogP2.24
Rot. Bonds8

About ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate

ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate (PubChem CID 14979883) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate
PubChem CID14979883
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nameethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate
SMILESCCOC(=O)NC(CC/C(C)=C\COC)C(C)(C)O
InChIInChI=1S/C14H27NO4/c1-6-19-13(16)15-12(14(3,4)17)8-7-11(2)9-10-18-5/h9,12,17H,6-8,10H2,1-5H3,(H,15,16)/b11-9-
InChIKeyGJSXVMIJKBRWCA-LUAWRHEFSA-N
XLogP2.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S,2R)-2-hydroxy-3-propan-2-ylcyclohex-3-en-1-yl]carbamate
CID 11276864
tert-butyl N-[(1S,2R)-3-butan-2-yl-2-hydroxycyclohex-3-en-1-yl]carbamate
CID 21590122
tert-butyl [(E,10R,11R,12S)-11-hydroxy-8,10,13-trimethyl-12-[(2-methylpropan-2-yl)oxycarbonylamino]tetradec-8-en-7-yl] carbonate
CID 135027715
tert-butyl N-[(1R,2S)-1-(cyclopenten-1-yl)-1,3-dihydroxypropan-2-yl]carbamate
CID 69703841
tert-butyl N-[(1S,2S)-1-(cyclopenten-1-yl)-1,3-dihydroxypropan-2-yl]carbamate
CID 69703842
tert-butyl N-[2-(cyclopenten-1-yl)-2-hydroxyethyl]carbamate
CID 71146355
tert-butyl N-[1-hydroxy-3-(5-propylcyclohexen-1-yl)propan-2-yl]carbamate
CID 164051442
tert-butyl N-[(1S,2R)-3-butyl-2-hydroxycyclohex-3-en-1-yl]carbamate
CID 21590123
tert-butyl N-[(2S)-1-cyclohexa-1,4-dien-1-yl-3-hydroxypropan-2-yl]carbamate
CID 101243510

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate?
The IUPAC name of ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate (CID 14979883) is ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate?
The canonical SMILES for ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate is CCOC(=O)NC(CC/C(C)=C\COC)C(C)(C)O.
What is the InChIKey of ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate?
The InChIKey is GJSXVMIJKBRWCA-LUAWRHEFSA-N. The full InChI is InChI=1S/C14H27NO4/c1-6-19-13(16)15-12(14(3,4)17)8-7-11(2)9-10-18-5/h9,12,17H,6-8,10H2,1-5H3,(H,15,16)/b11-9-.
What are the key properties of ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate?
ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate has a molecular weight of 273.37 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-2-hydroxy-8-methoxy-2,6-dimethyloct-6-en-3-yl]carbamate is sourced from PubChem (CID 14979883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).