(4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane

C10H14Br2O2 — CID 10639783

IUPAC(4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
SMILESC=CC[C@@H]1OC(C)(C)O[C@H]1C=C(Br)Br
InChIInChI=1S/C10H14Br2O2/c1-4-5-7-8(6-9(11)12)14-10(2,3)13-7/h4,6-8H,1,5H2,2-3H3/t7-,8-/m0/s1
InChIKeyGZQPGNLGJZMTTJ-YUMQZZPRSA-N
MW326.03 g/mol
LogP3.71
Rot. Bonds3

About (4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane

(4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane (PubChem CID 10639783) has the molecular formula C10H14Br2O2 and a molecular weight of 326.03 g/mol. Its IUPAC name is (4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
PubChem CID10639783
Molecular FormulaC10H14Br2O2
Molecular Weight326.03 g/mol
Exact Mass323.94
IUPAC Name(4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane
SMILESC=CC[C@@H]1OC(C)(C)O[C@H]1C=C(Br)Br
InChIInChI=1S/C10H14Br2O2/c1-4-5-7-8(6-9(11)12)14-10(2,3)13-7/h4,6-8H,1,5H2,2-3H3/t7-,8-/m0/s1
InChIKeyGZQPGNLGJZMTTJ-YUMQZZPRSA-N
XLogP3.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.03
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane?
The IUPAC name of (4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane (CID 10639783) is (4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane.
What is the SMILES notation for (4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane?
The canonical SMILES for (4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane is C=CC[C@@H]1OC(C)(C)O[C@H]1C=C(Br)Br.
What is the InChIKey of (4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane?
The InChIKey is GZQPGNLGJZMTTJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H14Br2O2/c1-4-5-7-8(6-9(11)12)14-10(2,3)13-7/h4,6-8H,1,5H2,2-3H3/t7-,8-/m0/s1.
What are the key properties of (4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane?
(4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane has a molecular weight of 326.03 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(2,2-dibromoethenyl)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolane is sourced from PubChem (CID 10639783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).