tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate

C15H27NO4 — CID 23628357

IUPACtert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@H](CO)[C@@H](O)CC(=C)C
InChIInChI=1S/C15H27NO4/c1-7-8-16(14(19)20-15(4,5)6)12(10-17)13(18)9-11(2)3/h7,12-13,17-18H,1-2,8-10H2,3-6H3/t12-,13+/m1/s1
InChIKeyOKJXPXNKAUXAGD-OLZOCXBDSA-N
MW285.38 g/mol
LogP2.10
Rot. Bonds7

About tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate

tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate (PubChem CID 23628357) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate
PubChem CID23628357
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate
SMILESC=CCN(C(=O)OC(C)(C)C)[C@H](CO)[C@@H](O)CC(=C)C
InChIInChI=1S/C15H27NO4/c1-7-8-16(14(19)20-15(4,5)6)12(10-17)13(18)9-11(2)3/h7,12-13,17-18H,1-2,8-10H2,3-6H3/t12-,13+/m1/s1
InChIKeyOKJXPXNKAUXAGD-OLZOCXBDSA-N
XLogP2.10
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate with MolForge

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Related Compounds

tert-butyl (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10107242
tert-butyl (4S)-4-[(1R)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10468424
tert-butyl (4R)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11119194
tert-butyl (4S)-4-(1-hydroxybut-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15213827
tert-butyl (4S)-4-[(1R)-1-hydroxypent-4-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10968083
tert-butyl (4R)-4-[(1R)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11807798
tert-butyl N-[(2R,3R)-1,2-dihydroxy-5-methylhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 23628356
tert-butyl N-[(2R)-1-hydroxy-4-methylpent-4-en-2-yl]-N-prop-2-enylcarbamate
CID 23628358
tert-butyl N-[(2S,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 45101552
tert-butyl N-[(4R,5R)-5-hydroxyhept-1-en-4-yl]-N-prop-2-enylcarbamate
CID 45101555
tert-butyl N-[(2R,3R)-1,2-dihydroxyhex-5-en-3-yl]-N-prop-2-enylcarbamate
CID 56958275
tert-butyl N-[(2R,3S)-1,3-dihydroxyhexan-2-yl]-N-prop-2-enylcarbamate
CID 134859662

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate (CID 23628357) is tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate is C=CCN(C(=O)OC(C)(C)C)[C@H](CO)[C@@H](O)CC(=C)C.
What is the InChIKey of tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate?
The InChIKey is OKJXPXNKAUXAGD-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H27NO4/c1-7-8-16(14(19)20-15(4,5)6)12(10-17)13(18)9-11(2)3/h7,12-13,17-18H,1-2,8-10H2,3-6H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate?
tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate has a molecular weight of 285.38 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S)-1,3-dihydroxy-5-methylhex-5-en-2-yl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 23628357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).