(3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane

C11H20O — CID 71445057

IUPAC(3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane
SMILESC=C(C)CC[C@H]1CCOC1(C)C
InChIInChI=1S/C11H20O/c1-9(2)5-6-10-7-8-12-11(10,3)4/h10H,1,5-8H2,2-4H3/t10-/m0/s1
InChIKeyGKODFYIBRILRGU-JTQLQIEISA-N
MW168.28 g/mol
LogP3.16
Rot. Bonds3

About (3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane

(3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane (PubChem CID 71445057) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane.

Molecular Properties

Compound Name(3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane
PubChem CID71445057
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane
SMILESC=C(C)CC[C@H]1CCOC1(C)C
InChIInChI=1S/C11H20O/c1-9(2)5-6-10-7-8-12-11(10,3)4/h10H,1,5-8H2,2-4H3/t10-/m0/s1
InChIKeyGKODFYIBRILRGU-JTQLQIEISA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane?
The IUPAC name of (3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane (CID 71445057) is (3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane.
What is the SMILES notation for (3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane?
The canonical SMILES for (3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane is C=C(C)CC[C@H]1CCOC1(C)C.
What is the InChIKey of (3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane?
The InChIKey is GKODFYIBRILRGU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)5-6-10-7-8-12-11(10,3)4/h10H,1,5-8H2,2-4H3/t10-/m0/s1.
What are the key properties of (3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane?
(3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane has a molecular weight of 168.28 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-dimethyl-3-(3-methylbut-3-enyl)oxolane is sourced from PubChem (CID 71445057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).