(3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene

C10H17Br — CID 15609390

IUPAC(3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene
SMILESC=CCC[C@H](CCBr)C(=C)C
InChIInChI=1S/C10H17Br/c1-4-5-6-10(7-8-11)9(2)3/h4,10H,1-2,5-8H2,3H3/t10-/m1/s1
InChIKeyBUUYTCKZPLVGSB-SNVBAGLBSA-N
MW217.15 g/mol
LogP3.93
Rot. Bonds6

About (3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene

(3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene (PubChem CID 15609390) has the molecular formula C10H17Br and a molecular weight of 217.15 g/mol. Its IUPAC name is (3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene.

Molecular Properties

Compound Name(3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene
PubChem CID15609390
Molecular FormulaC10H17Br
Molecular Weight217.15 g/mol
Exact Mass216.05
IUPAC Name(3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene
SMILESC=CCC[C@H](CCBr)C(=C)C
InChIInChI=1S/C10H17Br/c1-4-5-6-10(7-8-11)9(2)3/h4,10H,1-2,5-8H2,3H3/t10-/m1/s1
InChIKeyBUUYTCKZPLVGSB-SNVBAGLBSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(S)-(+)-Citronellyl bromide
CID 10900106
(R)-(-)-Citronellyl bromide
CID 11042221
8-Bromo-2,6-dimethyloct-2-ene
CID 4328245
(3R)-2-(bromomethyl)-3,7-dimethylocta-1,6-diene
CID 25147021
6-Bromo-2,3,3-trimethyl-1-hexene
CID 15049545
3-(Bromomethyl)-4-methylhex-1-ene
CID 20074780
4-Bromo-6-methylhept-1-ene
CID 21619184
2-[Bromo(fluoro)methyl]-4-ethylhex-1-ene
CID 167149848
6-Bromo-6-ethyloct-1-ene
CID 10798895
(1E)-1-bromo-4,8-dimethylnona-1,7-diene
CID 12610286
7-Bromo-3-methylhept-1-ene
CID 15176371
3-Bromo-2,6-dimethylocta-1,7-diene
CID 85995653

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene?
The IUPAC name of (3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene (CID 15609390) is (3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene.
What is the SMILES notation for (3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene?
The canonical SMILES for (3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene is C=CCC[C@H](CCBr)C(=C)C.
What is the InChIKey of (3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene?
The InChIKey is BUUYTCKZPLVGSB-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H17Br/c1-4-5-6-10(7-8-11)9(2)3/h4,10H,1-2,5-8H2,3H3/t10-/m1/s1.
What are the key properties of (3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene?
(3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene has a molecular weight of 217.15 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-bromoethyl)-2-methylhepta-1,6-diene is sourced from PubChem (CID 15609390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).