5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane

C10H15BrCl2O — CID 163064299

IUPAC5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane
SMILESC=C(Cl)C1(C)OC(C)(C)C(Br)CC1Cl
InChIInChI=1S/C10H15BrCl2O/c1-6(12)10(4)8(13)5-7(11)9(2,3)14-10/h7-8H,1,5H2,2-4H3
InChIKeyJIYDPDVHIGOLQZ-UHFFFAOYSA-N
MW302.04 g/mol
LogP4.07
Rot. Bonds1

About 5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane

5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane (PubChem CID 163064299) has the molecular formula C10H15BrCl2O and a molecular weight of 302.04 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane
PubChem CID163064299
Molecular FormulaC10H15BrCl2O
Molecular Weight302.04 g/mol
Exact Mass299.97
IUPAC Name5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane
SMILESC=C(Cl)C1(C)OC(C)(C)C(Br)CC1Cl
InChIInChI=1S/C10H15BrCl2O/c1-6(12)10(4)8(13)5-7(11)9(2,3)14-10/h7-8H,1,5H2,2-4H3
InChIKeyJIYDPDVHIGOLQZ-UHFFFAOYSA-N
XLogP4.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.04
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,5R)-5-bromo-3-chloro-2-[(E)-2-chloroethenyl]-2,6,6-trimethyloxane
CID 163057023
1-[(2S,5R)-5-bromo-2,6,6-trimethyloxan-2-yl]prop-2-en-1-one
CID 11346007
(2R,5R,9S,10S)-5-bromo-2,4,4,9-tetramethyl-3,8-dioxatricyclo[7.2.2.02,7]tridecan-10-ol
CID 162977842
(3R,6R)-3-bromo-6-[(1R,3R,4R)-3-bromo-4-chloro-4-methylcyclohexyl]-2,2,6-trimethyloxane
CID 44626954
(1R,4R,6R)-4-(3-bromoprop-1-en-2-yl)-1-methyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 101222982
(1S,2S,5R,7S,9R,10S,12S)-5-bromo-2,4,4,10-tetramethyl-3,8,14-trioxatetracyclo[7.3.1.17,10.02,7]tetradecan-12-ol
CID 154496188
(1S,3S,4S,6S)-3,4-dibromo-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 99952725
(1R,3R,4R,6S)-3,4-dibromo-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 98553630
carbonochloridic acid;2-(1-chloroethenyl)-1,1-dimethylcyclopropane
CID 88740342
3-bromo-6-ethynyl-2,2,6-trimethyloxane
CID 71390397
(E,2R)-4-bromo-2-[(2S,4R)-4-bromo-5,5-dimethyloxolan-2-yl]but-3-en-2-ol
CID 162928061
2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
CID 20533205

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane?
The IUPAC name of 5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane (CID 163064299) is 5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane.
What is the SMILES notation for 5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane?
The canonical SMILES for 5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane is C=C(Cl)C1(C)OC(C)(C)C(Br)CC1Cl.
What is the InChIKey of 5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane?
The InChIKey is JIYDPDVHIGOLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrCl2O/c1-6(12)10(4)8(13)5-7(11)9(2,3)14-10/h7-8H,1,5H2,2-4H3.
What are the key properties of 5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane?
5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane has a molecular weight of 302.04 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(1-chloroethenyl)-2,6,6-trimethyloxane is sourced from PubChem (CID 163064299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).