1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane

C12H24O2 — CID 90459020

IUPAC1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane
SMILESCOC(OC)C(C)(C)C1(C)CCCC1
InChIInChI=1S/C12H24O2/c1-11(2,10(13-4)14-5)12(3)8-6-7-9-12/h10H,6-9H2,1-5H3
InChIKeyUOMYLRWGGQUIFB-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.21
Rot. Bonds4

About 1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane

1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane (PubChem CID 90459020) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane.

Molecular Properties

Compound Name1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane
PubChem CID90459020
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane
SMILESCOC(OC)C(C)(C)C1(C)CCCC1
InChIInChI=1S/C12H24O2/c1-11(2,10(13-4)14-5)12(3)8-6-7-9-12/h10H,6-9H2,1-5H3
InChIKeyUOMYLRWGGQUIFB-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane?
The IUPAC name of 1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane (CID 90459020) is 1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane.
What is the SMILES notation for 1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane?
The canonical SMILES for 1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane is COC(OC)C(C)(C)C1(C)CCCC1.
What is the InChIKey of 1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane?
The InChIKey is UOMYLRWGGQUIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2,10(13-4)14-5)12(3)8-6-7-9-12/h10H,6-9H2,1-5H3.
What are the key properties of 1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane?
1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane has a molecular weight of 200.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dimethoxy-2-methylpropan-2-yl)-1-methylcyclopentane is sourced from PubChem (CID 90459020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).