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

C16H32O2 — CID 89439062

IUPAC2-decyl-2-propan-2-yl-1,3-dioxolane
SMILESCCCCCCCCCCC1(C(C)C)OCCO1
InChIInChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-16(15(2)3)17-13-14-18-16/h15H,4-14H2,1-3H3
InChIKeyDKECJRMVNQIHOZ-UHFFFAOYSA-N
MW256.43 g/mol
LogP4.92
Rot. Bonds10

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

2-decyl-2-propan-2-yl-1,3-dioxolane (PubChem CID 89439062) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is 2-decyl-2-propan-2-yl-1,3-dioxolane.

Molecular Properties

Compound Name2-decyl-2-propan-2-yl-1,3-dioxolane
PubChem CID89439062
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name2-decyl-2-propan-2-yl-1,3-dioxolane
SMILESCCCCCCCCCCC1(C(C)C)OCCO1
InChIInChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-16(15(2)3)17-13-14-18-16/h15H,4-14H2,1-3H3
InChIKeyDKECJRMVNQIHOZ-UHFFFAOYSA-N
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.92
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-octyl-2-propan-2-yl-1,3-dioxolane
CID 89439846
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-decyl-2-propan-2-yl-1,3-dioxolane?
The IUPAC name of 2-decyl-2-propan-2-yl-1,3-dioxolane (CID 89439062) is 2-decyl-2-propan-2-yl-1,3-dioxolane.
What is the SMILES notation for 2-decyl-2-propan-2-yl-1,3-dioxolane?
The canonical SMILES for 2-decyl-2-propan-2-yl-1,3-dioxolane is CCCCCCCCCCC1(C(C)C)OCCO1.
What is the InChIKey of 2-decyl-2-propan-2-yl-1,3-dioxolane?
The InChIKey is DKECJRMVNQIHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-4-5-6-7-8-9-10-11-12-16(15(2)3)17-13-14-18-16/h15H,4-14H2,1-3H3.
What are the key properties of 2-decyl-2-propan-2-yl-1,3-dioxolane?
2-decyl-2-propan-2-yl-1,3-dioxolane has a molecular weight of 256.43 g/mol, XLogP of 4.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-2-propan-2-yl-1,3-dioxolane is sourced from PubChem (CID 89439062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).