2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane

C10H18O2 — CID 89224243

IUPAC2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane
SMILESC=CC(C)(C)C(C)C1OCCO1
InChIInChI=1S/C10H18O2/c1-5-10(3,4)8(2)9-11-6-7-12-9/h5,8-9H,1,6-7H2,2-4H3
InChIKeyOAWIAHXUBHZJFB-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.21
Rot. Bonds3

About 2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane

2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane (PubChem CID 89224243) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane
PubChem CID89224243
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane
SMILESC=CC(C)(C)C(C)C1OCCO1
InChIInChI=1S/C10H18O2/c1-5-10(3,4)8(2)9-11-6-7-12-9/h5,8-9H,1,6-7H2,2-4H3
InChIKeyOAWIAHXUBHZJFB-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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

2-(3,3-dimethylpent-4-en-2-yl)-5-methyl-1,3-dioxane
CID 89224261
1-(1,3-dioxolan-2-yl)prop-2-en-1-ol
CID 70630757
1-(1,3-dioxolan-2-yl)ethanethiol
CID 123704944
ethane;3,3,4-trimethylhepta-1,6-diene
CID 142059658
(2R)-2,3,3-trimethylpent-4-enenitrile
CID 163689292
3-(1,3-dioxolan-2-yl)pent-4-enal
CID 59861600
(2S,4S)-4-ethenyl-2-(2-methylpropyl)oxane
CID 166930906
4-(3,3-dimethylbutan-2-yl)oxane
CID 58260872
2,3,3-trimethylpent-4-enoic acid
CID 549584
2-[1-[4-(2-methylpropyl)cyclohexyl]propan-2-yl]-1,3-dioxolane
CID 139533960
ethyl (6S)-6-(1,3-dioxolan-2-yl)-2,6-dimethyloct-7-enoate
CID 11108418
(2R)-2-[(2S)-but-3-en-2-yl]oxirane
CID 10103123

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane (CID 89224243) is 2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane is C=CC(C)(C)C(C)C1OCCO1.
What is the InChIKey of 2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane?
The InChIKey is OAWIAHXUBHZJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-10(3,4)8(2)9-11-6-7-12-9/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane?
2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane has a molecular weight of 170.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylpent-4-en-2-yl)-1,3-dioxolane is sourced from PubChem (CID 89224243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).