(4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane

C10H15BrO2 — CID 11242062

IUPAC(4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](/C=C/C=C/CBr)O1
InChIInChI=1S/C10H15BrO2/c1-10(2)12-8-9(13-10)6-4-3-5-7-11/h3-6,9H,7-8H2,1-2H3/b5-3+,6-4+/t9-/m0/s1
InChIKeyYGMUHECOSAYUBY-HBBLVLSZSA-N
MW247.13 g/mol
LogP2.65
Rot. Bonds3

About (4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane

(4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 11242062) has the molecular formula C10H15BrO2 and a molecular weight of 247.13 g/mol. Its IUPAC name is (4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID11242062
Molecular FormulaC10H15BrO2
Molecular Weight247.13 g/mol
Exact Mass246.03
IUPAC Name(4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@H](/C=C/C=C/CBr)O1
InChIInChI=1S/C10H15BrO2/c1-10(2)12-8-9(13-10)6-4-3-5-7-11/h3-6,9H,7-8H2,1-2H3/b5-3+,6-4+/t9-/m0/s1
InChIKeyYGMUHECOSAYUBY-HBBLVLSZSA-N
XLogP2.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.13
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-bromoprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
CID 72828688
(4R)-4-[(E)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethenyl]-2,2-dimethyl-1,3-dioxolane
CID 11310734
3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enal
CID 72833007
(4S)-2,2-dimethyl-4-[(E)-pent-1-enyl]-1,3-dioxolane
CID 21178132
[(E)-3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enyl]-trimethylsilane
CID 11275935
(4S)-2,2-dimethyl-4-[(1Z)-octa-1,7-dienyl]-1,3-dioxolane
CID 10536443
1-(2,2-dimethyl-1,3-dioxolan-4-yl)pent-1-en-3-one
CID 71339409
1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]pent-1-en-3-one
CID 71352243
(E)-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylidenebut-3-en-1-ol
CID 131235695
(E)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoic acid
CID 12861744
(4S)-2,2-dimethyl-4-(2-methylprop-1-enyl)-1,3-dioxolane
CID 89090378
2-[(2E,4Z)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpenta-2,4-dienoxy]oxane
CID 135037180

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane (CID 11242062) is (4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@H](/C=C/C=C/CBr)O1.
What is the InChIKey of (4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is YGMUHECOSAYUBY-HBBLVLSZSA-N. The full InChI is InChI=1S/C10H15BrO2/c1-10(2)12-8-9(13-10)6-4-3-5-7-11/h3-6,9H,7-8H2,1-2H3/b5-3+,6-4+/t9-/m0/s1.
What are the key properties of (4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane?
(4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 247.13 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(1E,3E)-5-bromopenta-1,3-dienyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11242062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).