(3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one

C15H26O3 — CID 138504086

IUPAC(3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one
SMILESC=C1C(=O)CC(OC(C)(C)C)[C@H]1COC(C)(C)C
InChIInChI=1S/C15H26O3/c1-10-11(9-17-14(2,3)4)13(8-12(10)16)18-15(5,6)7/h11,13H,1,8-9H2,2-7H3/t11-,13?/m0/s1
InChIKeyCXTFNNFBFPAQAT-AMGKYWFPSA-N
MW254.37 g/mol
LogP3.13
Rot. Bonds3

About (3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one

(3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one (PubChem CID 138504086) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one
PubChem CID138504086
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one
SMILESC=C1C(=O)CC(OC(C)(C)C)[C@H]1COC(C)(C)C
InChIInChI=1S/C15H26O3/c1-10-11(9-17-14(2,3)4)13(8-12(10)16)18-15(5,6)7/h11,13H,1,8-9H2,2-7H3/t11-,13?/m0/s1
InChIKeyCXTFNNFBFPAQAT-AMGKYWFPSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one?
The IUPAC name of (3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one (CID 138504086) is (3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one.
What is the SMILES notation for (3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one?
The canonical SMILES for (3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one is C=C1C(=O)CC(OC(C)(C)C)[C@H]1COC(C)(C)C.
What is the InChIKey of (3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one?
The InChIKey is CXTFNNFBFPAQAT-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H26O3/c1-10-11(9-17-14(2,3)4)13(8-12(10)16)18-15(5,6)7/h11,13H,1,8-9H2,2-7H3/t11-,13?/m0/s1.
What are the key properties of (3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one?
(3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one has a molecular weight of 254.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-methylidene-4-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxymethyl]cyclopentan-1-one is sourced from PubChem (CID 138504086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).