2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane

C16H28O3 — CID 72576196

IUPAC2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane
SMILESCC1(CCCCCC=CCCCC2CO2)OCCO1
InChIInChI=1S/C16H28O3/c1-16(18-12-13-19-16)11-9-7-5-3-2-4-6-8-10-15-14-17-15/h2,4,15H,3,5-14H2,1H3
InChIKeyBKLKYMUKZKCFFG-UHFFFAOYSA-N
MW268.40 g/mol
LogP3.83
Rot. Bonds10

About 2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane

2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane (PubChem CID 72576196) has the molecular formula C16H28O3 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane
PubChem CID72576196
Molecular FormulaC16H28O3
Molecular Weight268.40 g/mol
Exact Mass268.20
IUPAC Name2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane
SMILESCC1(CCCCCC=CCCCC2CO2)OCCO1
InChIInChI=1S/C16H28O3/c1-16(18-12-13-19-16)11-9-7-5-3-2-4-6-8-10-15-14-17-15/h2,4,15H,3,5-14H2,1H3
InChIKeyBKLKYMUKZKCFFG-UHFFFAOYSA-N
XLogP3.83
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-[(Z)-10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane
CID 59841790
6-(2-methyl-1,3-dioxolan-2-yl)hexanal
CID 11052346
2-nonadec-10-enyloxirane
CID 54194145
(E)-N-[bis(dimethylamino)phosphoryl]-N-methyl-7-(2-methyl-1,3-dioxolan-2-yl)hept-1-en-1-amine
CID 102043189
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
2-octadec-9-enyloxirane;phosphoric acid
CID 173288867
2-[(E)-oct-3-enyl]oxirane
CID 58906870
(2S)-2-(5-methylhex-4-enyl)oxirane
CID 102089561
2-heptadec-8-enyl-2-heptyl-1,3-dioxolane
CID 72578433
2-(4-chlorobutyl)-2-methyl-1,3-dioxolane
CID 10965102
(2R)-2-[14-[(2S)-oxiran-2-yl]tetradecyl]oxirane
CID 92538674
2-non-8-enyloxirane
CID 86075301

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane (CID 72576196) is 2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane is CC1(CCCCCC=CCCCC2CO2)OCCO1.
What is the InChIKey of 2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane?
The InChIKey is BKLKYMUKZKCFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O3/c1-16(18-12-13-19-16)11-9-7-5-3-2-4-6-8-10-15-14-17-15/h2,4,15H,3,5-14H2,1H3.
What are the key properties of 2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane?
2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane has a molecular weight of 268.40 g/mol, XLogP of 3.83, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[10-(oxiran-2-yl)dec-6-enyl]-1,3-dioxolane is sourced from PubChem (CID 72576196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).