2-octyl-2-propan-2-yl-1,3-dioxolane

C14H28O2 — CID 89439846

IUPAC2-octyl-2-propan-2-yl-1,3-dioxolane
SMILESCCCCCCCCC1(C(C)C)OCCO1
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-14(13(2)3)15-11-12-16-14/h13H,4-12H2,1-3H3
InChIKeySVKBUJSPXINQTK-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.14
Rot. Bonds8

About 2-octyl-2-propan-2-yl-1,3-dioxolane

2-octyl-2-propan-2-yl-1,3-dioxolane (PubChem CID 89439846) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-octyl-2-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-octyl-2-propan-2-yl-1,3-dioxolane
PubChem CID89439846
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name2-octyl-2-propan-2-yl-1,3-dioxolane
SMILESCCCCCCCCC1(C(C)C)OCCO1
InChIInChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-14(13(2)3)15-11-12-16-14/h13H,4-12H2,1-3H3
InChIKeySVKBUJSPXINQTK-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-octyl-2-propan-2-yl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-decyl-2-propan-2-yl-1,3-dioxolane
CID 89439062
2-hexyl-2-propan-2-yloxirane
CID 170634762
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
2-methyl-2-nonyl-1,3-dioxolane
CID 10013506
8-(2-heptan-2-yl-1,3-dioxolan-2-yl)octanal
CID 87856068
ethane;2-heptyl-2-propyl-1,3-dioxolane
CID 144819660
2-pent-3-en-2-yl-2-pentyl-1,3-dioxane
CID 70159714
2-hexyl-2-(2-methylpropyl)-1,3-dioxane
CID 89440656
2-hexadecyl-2-tetradecyloxirane
CID 71421731
(1R,2R,3S)-4-tert-butylsulfinyl-1-(2-heptyl-1,3-dioxolan-2-yl)-2-methylbutane-1,3-diol
CID 102178523

Frequently Asked Questions

What is the IUPAC name of 2-octyl-2-propan-2-yl-1,3-dioxolane?
The IUPAC name of 2-octyl-2-propan-2-yl-1,3-dioxolane (CID 89439846) is 2-octyl-2-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-octyl-2-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 2-octyl-2-propan-2-yl-1,3-dioxolane is CCCCCCCCC1(C(C)C)OCCO1.
What is the InChIKey of 2-octyl-2-propan-2-yl-1,3-dioxolane?
The InChIKey is SVKBUJSPXINQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-4-5-6-7-8-9-10-14(13(2)3)15-11-12-16-14/h13H,4-12H2,1-3H3.
What are the key properties of 2-octyl-2-propan-2-yl-1,3-dioxolane?
2-octyl-2-propan-2-yl-1,3-dioxolane has a molecular weight of 228.38 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octyl-2-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 89439846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).