(3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane

C12H22O — CID 165003609

IUPAC(3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane
SMILESC=C1CC[C@@H](CCOC(C)(C)C)C1
InChIInChI=1S/C12H22O/c1-10-5-6-11(9-10)7-8-13-12(2,3)4/h11H,1,5-9H2,2-4H3/t11-/m0/s1
InChIKeyFXTNACIUZRGSMG-NSHDSACASA-N
MW182.31 g/mol
LogP3.55
Rot. Bonds3

About (3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane

(3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane (PubChem CID 165003609) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is (3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane.

Molecular Properties

Compound Name(3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane
PubChem CID165003609
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name(3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane
SMILESC=C1CC[C@@H](CCOC(C)(C)C)C1
InChIInChI=1S/C12H22O/c1-10-5-6-11(9-10)7-8-13-12(2,3)4/h11H,1,5-9H2,2-4H3/t11-/m0/s1
InChIKeyFXTNACIUZRGSMG-NSHDSACASA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]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 (3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane?
The IUPAC name of (3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane (CID 165003609) is (3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane.
What is the SMILES notation for (3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane?
The canonical SMILES for (3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane is C=C1CC[C@@H](CCOC(C)(C)C)C1.
What is the InChIKey of (3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane?
The InChIKey is FXTNACIUZRGSMG-NSHDSACASA-N. The full InChI is InChI=1S/C12H22O/c1-10-5-6-11(9-10)7-8-13-12(2,3)4/h11H,1,5-9H2,2-4H3/t11-/m0/s1.
What are the key properties of (3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane?
(3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane has a molecular weight of 182.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methylidene-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopentane is sourced from PubChem (CID 165003609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).