2-methyl-2-nonyl-1,3-dioxolane

C13H26O2 — CID 10013506

IUPAC2-methyl-2-nonyl-1,3-dioxolane
SMILESCCCCCCCCCC1(C)OCCO1
InChIInChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-13(2)14-11-12-15-13/h3-12H2,1-2H3
InChIKeyVMEIDKJDTJZURE-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.89
Rot. Bonds8

About 2-methyl-2-nonyl-1,3-dioxolane

2-methyl-2-nonyl-1,3-dioxolane (PubChem CID 10013506) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-2-nonyl-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-nonyl-1,3-dioxolane
PubChem CID10013506
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name2-methyl-2-nonyl-1,3-dioxolane
SMILESCCCCCCCCCC1(C)OCCO1
InChIInChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-13(2)14-11-12-15-13/h3-12H2,1-2H3
InChIKeyVMEIDKJDTJZURE-UHFFFAOYSA-N
XLogP3.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-heptyl-2-octyl-1,3-dioxolane
CID 89440490
2-dodecyl-2-heptyl-1,3-dioxolane
CID 89440443
2-(4-chlorobutyl)-2-methyl-1,3-dioxolane
CID 10965102
2-dodecyl-2-ethyl-1,3-dioxolane
CID 89440432
6-(2-methyl-1,3-dioxolan-2-yl)hexanal
CID 11052346
2-methyl-2-propyl-1,3,6-trioxocane
CID 89306416
2-icosyl-2-methyloxirane
CID 87753382
2-hexadecyl-2-methyloxirane
CID 87444144
2-methyl-2-nonadecyloxirane
CID 87754306
2-octyl-2-propan-2-yl-1,3-dioxolane
CID 89439846
2-decyl-2-propan-2-yl-1,3-dioxolane
CID 89439062
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-nonyl-1,3-dioxolane?
The IUPAC name of 2-methyl-2-nonyl-1,3-dioxolane (CID 10013506) is 2-methyl-2-nonyl-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-nonyl-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-nonyl-1,3-dioxolane is CCCCCCCCCC1(C)OCCO1.
What is the InChIKey of 2-methyl-2-nonyl-1,3-dioxolane?
The InChIKey is VMEIDKJDTJZURE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-13(2)14-11-12-15-13/h3-12H2,1-2H3.
What are the key properties of 2-methyl-2-nonyl-1,3-dioxolane?
2-methyl-2-nonyl-1,3-dioxolane has a molecular weight of 214.35 g/mol, XLogP of 3.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-nonyl-1,3-dioxolane is sourced from PubChem (CID 10013506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).