2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane

C10H16Br2O2 — CID 10969500

IUPAC2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane
SMILESCCC1([C@@H](C)CC=C(Br)Br)OCCO1
InChIInChI=1S/C10H16Br2O2/c1-3-10(13-6-7-14-10)8(2)4-5-9(11)12/h5,8H,3-4,6-7H2,1-2H3/t8-/m0/s1
InChIKeyHSDOBWSQZUHKEJ-QMMMGPOBSA-N
MW328.04 g/mol
LogP3.80
Rot. Bonds4

About 2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane

2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane (PubChem CID 10969500) has the molecular formula C10H16Br2O2 and a molecular weight of 328.04 g/mol. Its IUPAC name is 2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane
PubChem CID10969500
Molecular FormulaC10H16Br2O2
Molecular Weight328.04 g/mol
Exact Mass325.95
IUPAC Name2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane
SMILESCCC1([C@@H](C)CC=C(Br)Br)OCCO1
InChIInChI=1S/C10H16Br2O2/c1-3-10(13-6-7-14-10)8(2)4-5-9(11)12/h5,8H,3-4,6-7H2,1-2H3/t8-/m0/s1
InChIKeyHSDOBWSQZUHKEJ-QMMMGPOBSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.04
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane?
The IUPAC name of 2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane (CID 10969500) is 2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane.
What is the SMILES notation for 2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane?
The canonical SMILES for 2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane is CCC1([C@@H](C)CC=C(Br)Br)OCCO1.
What is the InChIKey of 2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane?
The InChIKey is HSDOBWSQZUHKEJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16Br2O2/c1-3-10(13-6-7-14-10)8(2)4-5-9(11)12/h5,8H,3-4,6-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane?
2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane has a molecular weight of 328.04 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-5,5-dibromopent-4-en-2-yl]-2-ethyl-1,3-dioxolane is sourced from PubChem (CID 10969500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).