(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane

C13H25BrO2 — CID 15540488

IUPAC(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](CCCCCCCCBr)O1
InChIInChI=1S/C13H25BrO2/c1-13(2)15-11-12(16-13)9-7-5-3-4-6-8-10-14/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyKZUKQLHWENYPMU-GFCCVEGCSA-N
MW293.25 g/mol
LogP4.26
Rot. Bonds8

About (4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane

(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 15540488) has the molecular formula C13H25BrO2 and a molecular weight of 293.25 g/mol. Its IUPAC name is (4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID15540488
Molecular FormulaC13H25BrO2
Molecular Weight293.25 g/mol
Exact Mass292.10
IUPAC Name(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC1(C)OC[C@@H](CCCCCCCCBr)O1
InChIInChI=1S/C13H25BrO2/c1-13(2)15-11-12(16-13)9-7-5-3-4-6-8-10-14/h12H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyKZUKQLHWENYPMU-GFCCVEGCSA-N
XLogP4.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane
CID 13151642
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
(4S)-4-(4-bromobutoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 118624680
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 8-bromooctanoate
CID 10688302
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine
CID 53230731
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanenitrile
CID 14374516

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane (CID 15540488) is (4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane is CC1(C)OC[C@@H](CCCCCCCCBr)O1.
What is the InChIKey of (4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is KZUKQLHWENYPMU-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25BrO2/c1-13(2)15-11-12(16-13)9-7-5-3-4-6-8-10-14/h12H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of (4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane?
(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 293.25 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 15540488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).