(4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane

C7H11BrO2 — CID 101369068

IUPAC(4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](/C=C\Br)O1
InChIInChI=1S/C7H11BrO2/c1-7(2)9-5-6(10-7)3-4-8/h3-4,6H,5H2,1-2H3/b4-3-/t6-/m0/s1
InChIKeyGKDLVXKTBQPQEQ-SYDCGGLASA-N
MW207.07 g/mol
LogP2.05
Rot. Bonds1

About (4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 101369068) has the molecular formula C7H11BrO2 and a molecular weight of 207.07 g/mol. Its IUPAC name is (4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID101369068
Molecular FormulaC7H11BrO2
Molecular Weight207.07 g/mol
Exact Mass205.99
IUPAC Name(4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](/C=C\Br)O1
InChIInChI=1S/C7H11BrO2/c1-7(2)9-5-6(10-7)3-4-8/h3-4,6H,5H2,1-2H3/b4-3-/t6-/m0/s1
InChIKeyGKDLVXKTBQPQEQ-SYDCGGLASA-N
XLogP2.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane (CID 101369068) is (4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@H](/C=C\Br)O1.
What is the InChIKey of (4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is GKDLVXKTBQPQEQ-SYDCGGLASA-N. The full InChI is InChI=1S/C7H11BrO2/c1-7(2)9-5-6(10-7)3-4-8/h3-4,6H,5H2,1-2H3/b4-3-/t6-/m0/s1.
What are the key properties of (4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 207.07 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(Z)-2-bromoethenyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 101369068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).