(2R)-2-tert-butyl-4-methylideneoxane

C10H18O — CID 134959697

IUPAC(2R)-2-tert-butyl-4-methylideneoxane
SMILESC=C1CCO[C@@H](C(C)(C)C)C1
InChIInChI=1S/C10H18O/c1-8-5-6-11-9(7-8)10(2,3)4/h9H,1,5-7H2,2-4H3/t9-/m1/s1
InChIKeyUGMYKQJTNNSROC-SECBINFHSA-N
MW154.25 g/mol
LogP2.77
Rot. Bonds

About (2R)-2-tert-butyl-4-methylideneoxane

(2R)-2-tert-butyl-4-methylideneoxane (PubChem CID 134959697) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (2R)-2-tert-butyl-4-methylideneoxane.

Molecular Properties

Compound Name(2R)-2-tert-butyl-4-methylideneoxane
PubChem CID134959697
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(2R)-2-tert-butyl-4-methylideneoxane
SMILESC=C1CCO[C@@H](C(C)(C)C)C1
InChIInChI=1S/C10H18O/c1-8-5-6-11-9(7-8)10(2,3)4/h9H,1,5-7H2,2-4H3/t9-/m1/s1
InChIKeyUGMYKQJTNNSROC-SECBINFHSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.77
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 (2R)-2-tert-butyl-4-methylideneoxane?
The IUPAC name of (2R)-2-tert-butyl-4-methylideneoxane (CID 134959697) is (2R)-2-tert-butyl-4-methylideneoxane.
What is the SMILES notation for (2R)-2-tert-butyl-4-methylideneoxane?
The canonical SMILES for (2R)-2-tert-butyl-4-methylideneoxane is C=C1CCO[C@@H](C(C)(C)C)C1.
What is the InChIKey of (2R)-2-tert-butyl-4-methylideneoxane?
The InChIKey is UGMYKQJTNNSROC-SECBINFHSA-N. The full InChI is InChI=1S/C10H18O/c1-8-5-6-11-9(7-8)10(2,3)4/h9H,1,5-7H2,2-4H3/t9-/m1/s1.
What are the key properties of (2R)-2-tert-butyl-4-methylideneoxane?
(2R)-2-tert-butyl-4-methylideneoxane has a molecular weight of 154.25 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-4-methylideneoxane is sourced from PubChem (CID 134959697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).