(4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane

C11H16Br2O2 — CID 58713760

IUPAC(4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)O[C@H](/C=C/CBr)[C@@H](/C=C/CBr)O1
InChIInChI=1S/C11H16Br2O2/c1-11(2)14-9(5-3-7-12)10(15-11)6-4-8-13/h3-6,9-10H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10-/m1/s1
InChIKeyAYZLVHOOYUUGLQ-BNCPEGEKSA-N
MW340.06 g/mol
LogP3.41
Rot. Bonds4

About (4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane

(4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 58713760) has the molecular formula C11H16Br2O2 and a molecular weight of 340.06 g/mol. Its IUPAC name is (4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID58713760
Molecular FormulaC11H16Br2O2
Molecular Weight340.06 g/mol
Exact Mass337.95
IUPAC Name(4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)O[C@H](/C=C/CBr)[C@@H](/C=C/CBr)O1
InChIInChI=1S/C11H16Br2O2/c1-11(2)14-9(5-3-7-12)10(15-11)6-4-8-13/h3-6,9-10H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10-/m1/s1
InChIKeyAYZLVHOOYUUGLQ-BNCPEGEKSA-N
XLogP3.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.06
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,E)-4-(3-bromoprop-1-en-1-yl)-2,2-dimethyl-1,3-dioxolane
CID 22831650
4-[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
CID 15387282
(1'R,5'S)-2',3'-dibromospiro[1,3-dioxolane-2,4'-8-oxabicyclo[3.2.1]octa-2,6-diene]
CID 15544213
(4S)-4-[(1Z)-3-(bromomethyl)buta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 15922948
[(E,3S)-1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-yl] cyanate
CID 101410919
rac-(3aR,7aS)-5-bromo-2,2-dimethyl-3a,7a-dihydrobenzo[d][1,3]dioxole
CID 121233012
Methylheptenone ethylene ketal
CID 129805356
(2S,3R)-3-[(E)-3-bromoprop-1-enyl]-2-methyl-1,4-dioxaspiro[4.5]decane
CID 132967392
(4S,5R)-4-[(E)-but-1-enyl]-2,2,5-trimethyl-1,3-dioxolane
CID 134895993
(5E)-4-(2-bromo-1-ethoxyethoxy)nona-1,5-diene
CID 134936737
2-[(E,4S)-4-ethoxypent-1-enyl]-1,3-dioxolane
CID 134964276
2-(dibromomethyl)-2-[(E)-oct-1-enyl]-1,3-dioxolane
CID 135080543

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane (CID 58713760) is (4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)O[C@H](/C=C/CBr)[C@@H](/C=C/CBr)O1.
What is the InChIKey of (4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is AYZLVHOOYUUGLQ-BNCPEGEKSA-N. The full InChI is InChI=1S/C11H16Br2O2/c1-11(2)14-9(5-3-7-12)10(15-11)6-4-8-13/h3-6,9-10H,7-8H2,1-2H3/b5-3+,6-4+/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
(4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 340.06 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4,5-bis[(E)-3-bromoprop-1-enyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 58713760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).