tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate

C12H21Br2NO2 — CID 546763

IUPACtert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate
SMILESCC(C)CC(C=C(Br)Br)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21Br2NO2/c1-8(2)6-9(7-10(13)14)15-11(16)17-12(3,4)5/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyVZHJNXKWNHNRRI-UHFFFAOYSA-N
MW371.11 g/mol
LogP4.56
Rot. Bonds4

About tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate

tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate (PubChem CID 546763) has the molecular formula C12H21Br2NO2 and a molecular weight of 371.11 g/mol. Its IUPAC name is tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate
PubChem CID546763
Molecular FormulaC12H21Br2NO2
Molecular Weight371.11 g/mol
Exact Mass368.99
IUPAC Nametert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate
SMILESCC(C)CC(C=C(Br)Br)NC(=O)OC(C)(C)C
InChIInChI=1S/C12H21Br2NO2/c1-8(2)6-9(7-10(13)14)15-11(16)17-12(3,4)5/h7-9H,6H2,1-5H3,(H,15,16)
InChIKeyVZHJNXKWNHNRRI-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.11
LogP ≤ 54.56
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
1-Pentene, 1,1-dibromo-4-methyl-(3S)-[(t-butoxycarbonyl)amino]-
CID 12024557
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 (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-(1,1-dibromo-4-methylpent-1-en-3-yl)carbamate
CID 546765
1-Hexene, 1,1-dibromo-5-methyl-(3R)-[(t-butoxycarbonyl)amino]-
CID 91693684
tert-butyl N-(4,4-dibromobut-3-en-2-yl)carbamate
CID 546635
tert-butyl N-hex-1-en-3-ylcarbamate
CID 13294367

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate (CID 546763) is tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate is CC(C)CC(C=C(Br)Br)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate?
The InChIKey is VZHJNXKWNHNRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21Br2NO2/c1-8(2)6-9(7-10(13)14)15-11(16)17-12(3,4)5/h7-9H,6H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate?
tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate has a molecular weight of 371.11 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,1-dibromo-5-methylhex-1-en-3-yl)carbamate is sourced from PubChem (CID 546763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).