2-(9-bromononyl)-2-ethyl-1,3-dioxolane

C14H27BrO2 — CID 10852234

IUPAC2-(9-bromononyl)-2-ethyl-1,3-dioxolane
SMILESCCC1(CCCCCCCCCBr)OCCO1
InChIInChI=1S/C14H27BrO2/c1-2-14(16-12-13-17-14)10-8-6-4-3-5-7-9-11-15/h2-13H2,1H3
InChIKeySBKKNIONGSPGFU-UHFFFAOYSA-N
MW307.27 g/mol
LogP4.66
Rot. Bonds10

About 2-(9-bromononyl)-2-ethyl-1,3-dioxolane

2-(9-bromononyl)-2-ethyl-1,3-dioxolane (PubChem CID 10852234) has the molecular formula C14H27BrO2 and a molecular weight of 307.27 g/mol. Its IUPAC name is 2-(9-bromononyl)-2-ethyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(9-bromononyl)-2-ethyl-1,3-dioxolane
PubChem CID10852234
Molecular FormulaC14H27BrO2
Molecular Weight307.27 g/mol
Exact Mass306.12
IUPAC Name2-(9-bromononyl)-2-ethyl-1,3-dioxolane
SMILESCCC1(CCCCCCCCCBr)OCCO1
InChIInChI=1S/C14H27BrO2/c1-2-14(16-12-13-17-14)10-8-6-4-3-5-7-9-11-15/h2-13H2,1H3
InChIKeySBKKNIONGSPGFU-UHFFFAOYSA-N
XLogP4.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 54.66
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

2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
2-ethyl-2-(iodomethyl)-1,3-dioxolane
CID 13331255
2,2-bis(2-bromoethyl)-1,3-dioxolane
CID 11173723
6-(2-ethyl-1,3-dioxolan-2-yl)-N-methoxy-N-methylhexanamide
CID 86761418
7-(2-decyl-1,3-dioxolan-2-yl)heptan-1-ol
CID 10359175
1-(4-bromobutyl)-4-ethyl-2,6,7-trioxabicyclo[2.2.2]octane
CID 19755719
2-dodecyl-2-heptyl-1,3-dioxane
CID 89440122
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433
1-(5-bromopentyl)-1-ethylcyclobutane
CID 90128620

Frequently Asked Questions

What is the IUPAC name of 2-(9-bromononyl)-2-ethyl-1,3-dioxolane?
The IUPAC name of 2-(9-bromononyl)-2-ethyl-1,3-dioxolane (CID 10852234) is 2-(9-bromononyl)-2-ethyl-1,3-dioxolane.
What is the SMILES notation for 2-(9-bromononyl)-2-ethyl-1,3-dioxolane?
The canonical SMILES for 2-(9-bromononyl)-2-ethyl-1,3-dioxolane is CCC1(CCCCCCCCCBr)OCCO1.
What is the InChIKey of 2-(9-bromononyl)-2-ethyl-1,3-dioxolane?
The InChIKey is SBKKNIONGSPGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrO2/c1-2-14(16-12-13-17-14)10-8-6-4-3-5-7-9-11-15/h2-13H2,1H3.
What are the key properties of 2-(9-bromononyl)-2-ethyl-1,3-dioxolane?
2-(9-bromononyl)-2-ethyl-1,3-dioxolane has a molecular weight of 307.27 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9-bromononyl)-2-ethyl-1,3-dioxolane is sourced from PubChem (CID 10852234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).