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

C13H24O — CID 45101545

IUPAC(2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane
SMILESC=C1CCC[C@@H]1CCCOC(C)(C)C
InChIInChI=1S/C13H24O/c1-11-7-5-8-12(11)9-6-10-14-13(2,3)4/h12H,1,5-10H2,2-4H3/t12-/m1/s1
InChIKeyCPASZKWSVJLOKX-GFCCVEGCSA-N
MW196.33 g/mol
LogP3.94
Rot. Bonds4

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

(2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane (PubChem CID 45101545) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane.

Molecular Properties

Compound Name(2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane
PubChem CID45101545
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane
SMILESC=C1CCC[C@@H]1CCCOC(C)(C)C
InChIInChI=1S/C13H24O/c1-11-7-5-8-12(11)9-6-10-14-13(2,3)4/h12H,1,5-10H2,2-4H3/t12-/m1/s1
InChIKeyCPASZKWSVJLOKX-GFCCVEGCSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane?
The IUPAC name of (2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane (CID 45101545) is (2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane.
What is the SMILES notation for (2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane?
The canonical SMILES for (2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane is C=C1CCC[C@@H]1CCCOC(C)(C)C.
What is the InChIKey of (2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane?
The InChIKey is CPASZKWSVJLOKX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24O/c1-11-7-5-8-12(11)9-6-10-14-13(2,3)4/h12H,1,5-10H2,2-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane?
(2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane has a molecular weight of 196.33 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methylidene-2-[3-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane is sourced from PubChem (CID 45101545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).