4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane

C10H18O2 — CID 89076469

IUPAC4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane
SMILESC=CC1(C)OCC(C(C)CC)O1
InChIInChI=1S/C10H18O2/c1-5-8(3)9-7-11-10(4,6-2)12-9/h6,8-9H,2,5,7H2,1,3-4H3
InChIKeyOSAARSQIUBJCAQ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds3

About 4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane

4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane (PubChem CID 89076469) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane
PubChem CID89076469
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane
SMILESC=CC1(C)OCC(C(C)CC)O1
InChIInChI=1S/C10H18O2/c1-5-8(3)9-7-11-10(4,6-2)12-9/h6,8-9H,2,5,7H2,1,3-4H3
InChIKeyOSAARSQIUBJCAQ-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-butan-2-yl-2,2-diethynyl-1,3-dioxolane
CID 89076464
CID 59269666
CID 59269666
(4S)-4-[(2S)-hex-5-en-2-yl]-2,2-dimethyl-1,3-dioxolane
CID 135021066
CID 59269413
CID 59269413
2-butan-2-yloxirane;methane
CID 161408982
2-butan-2-yl-4-ethenyl-1,3-dioxolane
CID 71471387
5-butan-2-yl-2-ethyl-2-methyl-1,3-dioxane
CID 89076533
(1R,2S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylbut-3-en-1-ol
CID 13428079
CID 59269130
CID 59269130
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 14691681
ethyl (3S)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]butanoate
CID 14691682
(2R)-2-[(2S,5S)-5-ethenyl-5-methyloxolan-2-yl]propan-1-ol
CID 162923110

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane?
The IUPAC name of 4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane (CID 89076469) is 4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane.
What is the SMILES notation for 4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane?
The canonical SMILES for 4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane is C=CC1(C)OCC(C(C)CC)O1.
What is the InChIKey of 4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane?
The InChIKey is OSAARSQIUBJCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-8(3)9-7-11-10(4,6-2)12-9/h6,8-9H,2,5,7H2,1,3-4H3.
What are the key properties of 4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane?
4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2-ethenyl-2-methyl-1,3-dioxolane is sourced from PubChem (CID 89076469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).