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

C11H22O2 — CID 90457926

IUPAC(1,1-dimethoxy-2-methylpropan-2-yl)cyclopentane
SMILESCOC(OC)C(C)(C)C1CCCC1
InChIInChI=1S/C11H22O2/c1-11(2,10(12-3)13-4)9-7-5-6-8-9/h9-10H,5-8H2,1-4H3
InChIKeyPTNMSXVUQLFKNW-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.82
Rot. Bonds4

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

(1,1-dimethoxy-2-methylpropan-2-yl)cyclopentane (PubChem CID 90457926) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (1,1-dimethoxy-2-methylpropan-2-yl)cyclopentane.

Molecular Properties

Compound Name(1,1-dimethoxy-2-methylpropan-2-yl)cyclopentane
PubChem CID90457926
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(1,1-dimethoxy-2-methylpropan-2-yl)cyclopentane
SMILESCOC(OC)C(C)(C)C1CCCC1
InChIInChI=1S/C11H22O2/c1-11(2,10(12-3)13-4)9-7-5-6-8-9/h9-10H,5-8H2,1-4H3
InChIKeyPTNMSXVUQLFKNW-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.82
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-dimethoxy-2-methylpropan-2-yl)cyclopentane?
The IUPAC name of (1,1-dimethoxy-2-methylpropan-2-yl)cyclopentane (CID 90457926) is (1,1-dimethoxy-2-methylpropan-2-yl)cyclopentane.
What is the SMILES notation for (1,1-dimethoxy-2-methylpropan-2-yl)cyclopentane?
The canonical SMILES for (1,1-dimethoxy-2-methylpropan-2-yl)cyclopentane is COC(OC)C(C)(C)C1CCCC1.
What is the InChIKey of (1,1-dimethoxy-2-methylpropan-2-yl)cyclopentane?
The InChIKey is PTNMSXVUQLFKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-11(2,10(12-3)13-4)9-7-5-6-8-9/h9-10H,5-8H2,1-4H3.
What are the key properties of (1,1-dimethoxy-2-methylpropan-2-yl)cyclopentane?
(1,1-dimethoxy-2-methylpropan-2-yl)cyclopentane has a molecular weight of 186.29 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dimethoxy-2-methylpropan-2-yl)cyclopentane is sourced from PubChem (CID 90457926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).