1-methoxy-2,3-di(propan-2-yl)cyclopentane

C12H24O — CID 22965804

IUPAC1-methoxy-2,3-di(propan-2-yl)cyclopentane
SMILESCOC1CCC(C(C)C)C1C(C)C
InChIInChI=1S/C12H24O/c1-8(2)10-6-7-11(13-5)12(10)9(3)4/h8-12H,6-7H2,1-5H3
InChIKeyMLYGDYBCNIPGBB-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.34
Rot. Bonds3

About 1-methoxy-2,3-di(propan-2-yl)cyclopentane

1-methoxy-2,3-di(propan-2-yl)cyclopentane (PubChem CID 22965804) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 1-methoxy-2,3-di(propan-2-yl)cyclopentane.

Molecular Properties

Compound Name1-methoxy-2,3-di(propan-2-yl)cyclopentane
PubChem CID22965804
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name1-methoxy-2,3-di(propan-2-yl)cyclopentane
SMILESCOC1CCC(C(C)C)C1C(C)C
InChIInChI=1S/C12H24O/c1-8(2)10-6-7-11(13-5)12(10)9(3)4/h8-12H,6-7H2,1-5H3
InChIKeyMLYGDYBCNIPGBB-UHFFFAOYSA-N
XLogP3.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-2,3-di(propan-2-yl)cyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3-di(propan-2-yl)cyclopentane?
The IUPAC name of 1-methoxy-2,3-di(propan-2-yl)cyclopentane (CID 22965804) is 1-methoxy-2,3-di(propan-2-yl)cyclopentane.
What is the SMILES notation for 1-methoxy-2,3-di(propan-2-yl)cyclopentane?
The canonical SMILES for 1-methoxy-2,3-di(propan-2-yl)cyclopentane is COC1CCC(C(C)C)C1C(C)C.
What is the InChIKey of 1-methoxy-2,3-di(propan-2-yl)cyclopentane?
The InChIKey is MLYGDYBCNIPGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-8(2)10-6-7-11(13-5)12(10)9(3)4/h8-12H,6-7H2,1-5H3.
What are the key properties of 1-methoxy-2,3-di(propan-2-yl)cyclopentane?
1-methoxy-2,3-di(propan-2-yl)cyclopentane has a molecular weight of 184.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3-di(propan-2-yl)cyclopentane is sourced from PubChem (CID 22965804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).