1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane

C12H24O2 — CID 21363573

IUPAC1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane
SMILESCOCOCC1(C(C)(C)C)CCCC1
InChIInChI=1S/C12H24O2/c1-11(2,3)12(7-5-6-8-12)9-14-10-13-4/h5-10H2,1-4H3
InChIKeyOOAKTDSDRJRDOR-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.21
Rot. Bonds4

About 1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane

1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane (PubChem CID 21363573) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane.

Molecular Properties

Compound Name1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane
PubChem CID21363573
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane
SMILESCOCOCC1(C(C)(C)C)CCCC1
InChIInChI=1S/C12H24O2/c1-11(2,3)12(7-5-6-8-12)9-14-10-13-4/h5-10H2,1-4H3
InChIKeyOOAKTDSDRJRDOR-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-tert-butyl-1-(methoxymethoxymethyl)cyclopentane?
The IUPAC name of 1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane (CID 21363573) is 1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane.
What is the SMILES notation for 1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane?
The canonical SMILES for 1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane is COCOCC1(C(C)(C)C)CCCC1.
What is the InChIKey of 1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane?
The InChIKey is OOAKTDSDRJRDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-11(2,3)12(7-5-6-8-12)9-14-10-13-4/h5-10H2,1-4H3.
What are the key properties of 1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane?
1-tert-butyl-1-(methoxymethoxymethyl)cyclopentane 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-tert-butyl-1-(methoxymethoxymethyl)cyclopentane is sourced from PubChem (CID 21363573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).