tert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate

C11H19Br2NO2 — CID 12024557

IUPACtert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate
SMILESCC(C)[C@@H](C=C(Br)Br)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19Br2NO2/c1-7(2)8(6-9(12)13)14-10(15)16-11(3,4)5/h6-8H,1-5H3,(H,14,15)/t8-/m1/s1
InChIKeyBZSXZDIHFMVJFM-MRVPVSSYSA-N
MW357.09 g/mol
LogP4.17
Rot. Bonds3

About tert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate

tert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate (PubChem CID 12024557) has the molecular formula C11H19Br2NO2 and a molecular weight of 357.09 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate
PubChem CID12024557
Molecular FormulaC11H19Br2NO2
Molecular Weight357.09 g/mol
Exact Mass354.98
IUPAC Nametert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate
SMILESCC(C)[C@@H](C=C(Br)Br)NC(=O)OC(C)(C)C
InChIInChI=1S/C11H19Br2NO2/c1-7(2)8(6-9(12)13)14-10(15)16-11(3,4)5/h6-8H,1-5H3,(H,14,15)/t8-/m1/s1
InChIKeyBZSXZDIHFMVJFM-MRVPVSSYSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.09
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl 3,3-dibromo-1-methyl-2-propenylcarbamate
CID 57640737
1-Hexene, 1,1-dibromo-5-methyl-(3S)-[(t-butoxycarbonyl)amino]-
CID 10948681
tert-butyl N-(4-methylpent-1-en-3-yl)carbamate
CID 13905154
Tert-butyl N-[(3S)-4-methylpent-1-EN-3-YL]carbamate
CID 13905155
tert-butyl N-[(3S)-1,1-dibromo-4-methylhex-1-en-3-yl]carbamate
CID 15839261
Tert-butyl hexa-1,5-dien-3-ylcarbamate
CID 45091895
Tert-butyl (2-methylhex-5-en-3-yl)carbamate
CID 72969694
tert-butyl N-[(3S)-2-methylhex-5-en-3-yl]carbamate
CID 95898073
tert-butyl N-[(3R)-4,4-dimethyl-1-oxopent-1-en-3-yl]carbamate
CID 134874479
tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate
CID 546763
tert-butyl N-(1,1-dibromo-4-methylpent-1-en-3-yl)carbamate
CID 546765
tert-butyl N-[(Z,3S)-2-methylhex-4-en-3-yl]carbamate
CID 10987614

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate (CID 12024557) is tert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate is CC(C)[C@@H](C=C(Br)Br)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate?
The InChIKey is BZSXZDIHFMVJFM-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19Br2NO2/c1-7(2)8(6-9(12)13)14-10(15)16-11(3,4)5/h6-8H,1-5H3,(H,14,15)/t8-/m1/s1.
What are the key properties of tert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate?
tert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate has a molecular weight of 357.09 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1,1-dibromo-4-methylpent-1-en-3-yl]carbamate is sourced from PubChem (CID 12024557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).