(2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane

C12H22O2 — CID 143383012

IUPAC(2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane
SMILESCC(CC1CC[C@H](C)O1)C1CCCO1
InChIInChI=1S/C12H22O2/c1-9(12-4-3-7-13-12)8-11-6-5-10(2)14-11/h9-12H,3-8H2,1-2H3/t9?,10-,11?,12?/m0/s1
InChIKeyHUCPQXIBJSYOMC-GHNGPNRHSA-N
MW198.31 g/mol
LogP2.76
Rot. Bonds3

About (2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane

(2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane (PubChem CID 143383012) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane.

Molecular Properties

Compound Name(2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane
PubChem CID143383012
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane
SMILESCC(CC1CC[C@H](C)O1)C1CCCO1
InChIInChI=1S/C12H22O2/c1-9(12-4-3-7-13-12)8-11-6-5-10(2)14-11/h9-12H,3-8H2,1-2H3/t9?,10-,11?,12?/m0/s1
InChIKeyHUCPQXIBJSYOMC-GHNGPNRHSA-N
XLogP2.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane?
The IUPAC name of (2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane (CID 143383012) is (2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane.
What is the SMILES notation for (2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane?
The canonical SMILES for (2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane is CC(CC1CC[C@H](C)O1)C1CCCO1.
What is the InChIKey of (2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane?
The InChIKey is HUCPQXIBJSYOMC-GHNGPNRHSA-N. The full InChI is InChI=1S/C12H22O2/c1-9(12-4-3-7-13-12)8-11-6-5-10(2)14-11/h9-12H,3-8H2,1-2H3/t9?,10-,11?,12?/m0/s1.
What are the key properties of (2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane?
(2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane has a molecular weight of 198.31 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-5-[2-(oxolan-2-yl)propyl]oxolane is sourced from PubChem (CID 143383012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).