3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane

C13H24O2 — CID 14980060

IUPAC3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane
SMILESC=C(C)C1CC(C)(C)CC1C(OC)OC
InChIInChI=1S/C13H24O2/c1-9(2)10-7-13(3,4)8-11(10)12(14-5)15-6/h10-12H,1,7-8H2,2-6H3
InChIKeySBXTWUBSXXRPLD-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.23
Rot. Bonds4

About 3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane

3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane (PubChem CID 14980060) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane.

Molecular Properties

Compound Name3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane
PubChem CID14980060
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane
SMILESC=C(C)C1CC(C)(C)CC1C(OC)OC
InChIInChI=1S/C13H24O2/c1-9(2)10-7-13(3,4)8-11(10)12(14-5)15-6/h10-12H,1,7-8H2,2-6H3
InChIKeySBXTWUBSXXRPLD-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane?
The IUPAC name of 3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane (CID 14980060) is 3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane.
What is the SMILES notation for 3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane?
The canonical SMILES for 3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane is C=C(C)C1CC(C)(C)CC1C(OC)OC.
What is the InChIKey of 3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane?
The InChIKey is SBXTWUBSXXRPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-9(2)10-7-13(3,4)8-11(10)12(14-5)15-6/h10-12H,1,7-8H2,2-6H3.
What are the key properties of 3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane?
3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane has a molecular weight of 212.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-1,1-dimethyl-4-prop-1-en-2-ylcyclopentane is sourced from PubChem (CID 14980060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).