(2S)-2,4-dimethyl-4-propyloxolane

C9H18O — CID 135257246

IUPAC(2S)-2,4-dimethyl-4-propyloxolane
SMILESCCCC1(C)CO[C@@H](C)C1
InChIInChI=1S/C9H18O/c1-4-5-9(3)6-8(2)10-7-9/h8H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyORAQDBOHZAYOHQ-IENPIDJESA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds2

About (2S)-2,4-dimethyl-4-propyloxolane

(2S)-2,4-dimethyl-4-propyloxolane (PubChem CID 135257246) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (2S)-2,4-dimethyl-4-propyloxolane.

Molecular Properties

Compound Name(2S)-2,4-dimethyl-4-propyloxolane
PubChem CID135257246
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(2S)-2,4-dimethyl-4-propyloxolane
SMILESCCCC1(C)CO[C@@H](C)C1
InChIInChI=1S/C9H18O/c1-4-5-9(3)6-8(2)10-7-9/h8H,4-7H2,1-3H3/t8-,9?/m0/s1
InChIKeyORAQDBOHZAYOHQ-IENPIDJESA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,4-dimethyl-4-propyloxolane?
The IUPAC name of (2S)-2,4-dimethyl-4-propyloxolane (CID 135257246) is (2S)-2,4-dimethyl-4-propyloxolane.
What is the SMILES notation for (2S)-2,4-dimethyl-4-propyloxolane?
The canonical SMILES for (2S)-2,4-dimethyl-4-propyloxolane is CCCC1(C)CO[C@@H](C)C1.
What is the InChIKey of (2S)-2,4-dimethyl-4-propyloxolane?
The InChIKey is ORAQDBOHZAYOHQ-IENPIDJESA-N. The full InChI is InChI=1S/C9H18O/c1-4-5-9(3)6-8(2)10-7-9/h8H,4-7H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of (2S)-2,4-dimethyl-4-propyloxolane?
(2S)-2,4-dimethyl-4-propyloxolane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,4-dimethyl-4-propyloxolane is sourced from PubChem (CID 135257246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).