1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane

C13H24O — CID 59267069

IUPAC1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane
SMILESC=C(OC1(C)CCCC1)C(C)(C)CC
InChIInChI=1S/C13H24O/c1-6-12(3,4)11(2)14-13(5)9-7-8-10-13/h2,6-10H2,1,3-5H3
InChIKeyAXJHAXGIODEBCR-UHFFFAOYSA-N
MW196.33 g/mol
LogP4.29
Rot. Bonds4

About 1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane

1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane (PubChem CID 59267069) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane.

Molecular Properties

Compound Name1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane
PubChem CID59267069
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane
SMILESC=C(OC1(C)CCCC1)C(C)(C)CC
InChIInChI=1S/C13H24O/c1-6-12(3,4)11(2)14-13(5)9-7-8-10-13/h2,6-10H2,1,3-5H3
InChIKeyAXJHAXGIODEBCR-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane?
The IUPAC name of 1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane (CID 59267069) is 1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane.
What is the SMILES notation for 1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane?
The canonical SMILES for 1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane is C=C(OC1(C)CCCC1)C(C)(C)CC.
What is the InChIKey of 1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane?
The InChIKey is AXJHAXGIODEBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-6-12(3,4)11(2)14-13(5)9-7-8-10-13/h2,6-10H2,1,3-5H3.
What are the key properties of 1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane?
1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane has a molecular weight of 196.33 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpent-1-en-2-yloxy)-1-methylcyclopentane is sourced from PubChem (CID 59267069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).