(3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one

C15H26O3 — CID 10879662

IUPAC(3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one
SMILESCC(C)CC1(C[C@H](C)[C@@H]2CCC(=O)C2)OCCO1
InChIInChI=1S/C15H26O3/c1-11(2)9-15(17-6-7-18-15)10-12(3)13-4-5-14(16)8-13/h11-13H,4-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyPNJISWBMTRFSKW-QWHCGFSZSA-N
MW254.37 g/mol
LogP3.17
Rot. Bonds5

About (3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one

(3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one (PubChem CID 10879662) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name(3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one
PubChem CID10879662
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one
SMILESCC(C)CC1(C[C@H](C)[C@@H]2CCC(=O)C2)OCCO1
InChIInChI=1S/C15H26O3/c1-11(2)9-15(17-6-7-18-15)10-12(3)13-4-5-14(16)8-13/h11-13H,4-10H2,1-3H3/t12-,13+/m0/s1
InChIKeyPNJISWBMTRFSKW-QWHCGFSZSA-N
XLogP3.17
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one?
The IUPAC name of (3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one (CID 10879662) is (3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one.
What is the SMILES notation for (3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one?
The canonical SMILES for (3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one is CC(C)CC1(C[C@H](C)[C@@H]2CCC(=O)C2)OCCO1.
What is the InChIKey of (3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one?
The InChIKey is PNJISWBMTRFSKW-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H26O3/c1-11(2)9-15(17-6-7-18-15)10-12(3)13-4-5-14(16)8-13/h11-13H,4-10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one?
(3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one has a molecular weight of 254.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S)-1-[2-(2-methylpropyl)-1,3-dioxolan-2-yl]propan-2-yl]cyclopentan-1-one is sourced from PubChem (CID 10879662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).