tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate

C16H29NO4 — CID 102077689

IUPACtert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@@H](C=C)[C@@H](CC)OCOC
InChIInChI=1S/C16H29NO4/c1-8-11-17(15(18)21-16(4,5)6)13(9-2)14(10-3)20-12-19-7/h8-9,13-14H,1-2,10-12H2,3-7H3/t13-,14+/m0/s1
InChIKeyDGOVVBGHWDDSEQ-UONOGXRCSA-N
MW299.41 g/mol
LogP3.36
Rot. Bonds9

About tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate

tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate (PubChem CID 102077689) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate
PubChem CID102077689
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@@H](C=C)[C@@H](CC)OCOC
InChIInChI=1S/C16H29NO4/c1-8-11-17(15(18)21-16(4,5)6)13(9-2)14(10-3)20-12-19-7/h8-9,13-14H,1-2,10-12H2,3-7H3/t13-,14+/m0/s1
InChIKeyDGOVVBGHWDDSEQ-UONOGXRCSA-N
XLogP3.36
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S,3S)-3-(methoxymethoxy)pent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 134860000
[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]hept-6-en-3-yl] acetate
CID 25137291
tert-butyl (2S,3S)-3-(methoxymethoxy)-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 101898073
tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate
CID 11208719
tert-butyl (4R,5R)-4-ethenyl-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
CID 11807653
tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hexa-1,5-dien-3-yl]-N-prop-2-enylcarbamate
CID 11953602
tert-butyl N-[1-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]-N-prop-2-enylcarbamate
CID 72751537
tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]carbamate
CID 102077687
tert-butyl (2S)-2-[(1R)-1-(methoxymethoxy)propyl]-2,5-dihydropyrrole-1-carboxylate
CID 102077690
tert-butyl N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enyl]-N-prop-2-enylcarbamate
CID 122401672

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate (CID 102077689) is tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)[C@@H](C=C)[C@@H](CC)OCOC.
What is the InChIKey of tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate?
The InChIKey is DGOVVBGHWDDSEQ-UONOGXRCSA-N. The full InChI is InChI=1S/C16H29NO4/c1-8-11-17(15(18)21-16(4,5)6)13(9-2)14(10-3)20-12-19-7/h8-9,13-14H,1-2,10-12H2,3-7H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate?
tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate has a molecular weight of 299.41 g/mol, XLogP of 3.36, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4R)-4-(methoxymethoxy)hex-1-en-3-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 102077689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).