4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole

C13H20O2 — CID 91221875

IUPAC4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole
SMILESCC=CC1=C(C=CCC(C)(C)C)OCO1
InChIInChI=1S/C13H20O2/c1-5-7-11-12(15-10-14-11)8-6-9-13(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyKYQCGMQYNTUZLJ-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.77
Rot. Bonds3

About 4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole

4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole (PubChem CID 91221875) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole.

Molecular Properties

Compound Name4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole
PubChem CID91221875
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole
SMILESCC=CC1=C(C=CCC(C)(C)C)OCO1
InChIInChI=1S/C13H20O2/c1-5-7-11-12(15-10-14-11)8-6-9-13(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyKYQCGMQYNTUZLJ-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-bis[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxine
CID 146396950
(4Z,7Z)-2,2,10,10-tetramethylundeca-4,7-diene
CID 176844045
4-[(Z)-prop-1-enyl]-1,3-dioxole
CID 126669496
4-prop-1-enyl-1,3-dioxole
CID 141171884
(4E,5E)-4-[(E)-but-2-enylidene]-5-ethylidene-1,3-dioxolane
CID 143483101
1-[6-ethenyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1,4-dioxin-2-yl]-N-methylmethanamine
CID 142260505
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pent-1-ene
CID 76700833
1-fluoro-4,4-dimethylpent-1-ene
CID 123199486
(E)-1-chloro-4,4-dimethylpent-1-ene
CID 147984913
4,5-bis[(Z)-prop-1-enyl]-2,3-dihydrofuran;ethane
CID 145446824
but-1-ene;ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-6,7-dihydro-5H-1,4-dioxepine;propane
CID 177189450
CID 173486869
CID 173486869

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole?
The IUPAC name of 4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole (CID 91221875) is 4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole.
What is the SMILES notation for 4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole?
The canonical SMILES for 4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole is CC=CC1=C(C=CCC(C)(C)C)OCO1.
What is the InChIKey of 4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole?
The InChIKey is KYQCGMQYNTUZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-5-7-11-12(15-10-14-11)8-6-9-13(2,3)4/h5-8H,9-10H2,1-4H3.
What are the key properties of 4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole?
4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole has a molecular weight of 208.30 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole is sourced from PubChem (CID 91221875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).