2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane

C13H24O2 — CID 169171976

IUPAC2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane
SMILESC=C(CCCC(C)C)CCC1OCCO1
InChIInChI=1S/C13H24O2/c1-11(2)5-4-6-12(3)7-8-13-14-9-10-15-13/h11,13H,3-10H2,1-2H3
InChIKeyPOHFUZIQMILKPW-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.52
Rot. Bonds7

About 2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane

2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane (PubChem CID 169171976) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane
PubChem CID169171976
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane
SMILESC=C(CCCC(C)C)CCC1OCCO1
InChIInChI=1S/C13H24O2/c1-11(2)5-4-6-12(3)7-8-13-14-9-10-15-13/h11,13H,3-10H2,1-2H3
InChIKeyPOHFUZIQMILKPW-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.52
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

8-methyl-4-methylidenenonan-1-amine
CID 134380496
2,8-dimethyl-5-methylidenenonane
CID 545812
2-(3-bromobut-3-enyl)-1,3-dioxolane
CID 552140
6,10-dimethylundec-1-en-2-ylcyclopropane
CID 123693497
8-methyl-4-methylidenenona-1,2-diene
CID 174249080
2-[7-(1,3-dioxolan-2-yl)heptan-2-yl]-1,3-dioxolane
CID 101148003
4-(1,3-dioxolan-2-yl)-2-methylbutan-1-ol
CID 14537364
2-methyl-5-methylideneundecane
CID 54320712
2-[(3R)-3-methylhexyl]-1,3-dioxolane
CID 24822227
2-(5-methylhexyl)oxetane
CID 173452744
bromozinc(1+);2-[(3R)-3-methylhexyl]-1,3-dioxolane
CID 24822226
2-(dimethoxymethyl)-6,10,14-trimethylpentadec-1-ene
CID 23286550

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane?
The IUPAC name of 2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane (CID 169171976) is 2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane.
What is the SMILES notation for 2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane?
The canonical SMILES for 2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane is C=C(CCCC(C)C)CCC1OCCO1.
What is the InChIKey of 2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane?
The InChIKey is POHFUZIQMILKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-11(2)5-4-6-12(3)7-8-13-14-9-10-15-13/h11,13H,3-10H2,1-2H3.
What are the key properties of 2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane?
2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane has a molecular weight of 212.33 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-3-methylideneoctyl)-1,3-dioxolane is sourced from PubChem (CID 169171976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).