(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane

C11H22O — CID 175625697

IUPAC(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane
SMILESCCC(C)C[C@H]1COC(C)(C)C1
InChIInChI=1S/C11H22O/c1-5-9(2)6-10-7-11(3,4)12-8-10/h9-10H,5-8H2,1-4H3/t9?,10-/m1/s1
InChIKeyIDIMUBWERLCUOP-QVDQXJPCSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds3

About (4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane

(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane (PubChem CID 175625697) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane
PubChem CID175625697
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane
SMILESCCC(C)C[C@H]1COC(C)(C)C1
InChIInChI=1S/C11H22O/c1-5-9(2)6-10-7-11(3,4)12-8-10/h9-10H,5-8H2,1-4H3/t9?,10-/m1/s1
InChIKeyIDIMUBWERLCUOP-QVDQXJPCSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane?
The IUPAC name of (4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane (CID 175625697) is (4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane.
What is the SMILES notation for (4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane?
The canonical SMILES for (4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane is CCC(C)C[C@H]1COC(C)(C)C1.
What is the InChIKey of (4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane?
The InChIKey is IDIMUBWERLCUOP-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H22O/c1-5-9(2)6-10-7-11(3,4)12-8-10/h9-10H,5-8H2,1-4H3/t9?,10-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane?
(4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-(2-methylbutyl)oxolane is sourced from PubChem (CID 175625697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).