(6R)-6-butyl-6-tert-butyl-2,3-dihydropyran

C13H24O — CID 101414728

IUPAC(6R)-6-butyl-6-tert-butyl-2,3-dihydropyran
SMILESCCCC[C@]1(C(C)(C)C)C=CCCO1
InChIInChI=1S/C13H24O/c1-5-6-9-13(12(2,3)4)10-7-8-11-14-13/h7,10H,5-6,8-9,11H2,1-4H3/t13-/m1/s1
InChIKeyNVMNTYXBDHGFSR-CYBMUJFWSA-N
MW196.33 g/mol
LogP3.94
Rot. Bonds3

About (6R)-6-butyl-6-tert-butyl-2,3-dihydropyran

(6R)-6-butyl-6-tert-butyl-2,3-dihydropyran (PubChem CID 101414728) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (6R)-6-butyl-6-tert-butyl-2,3-dihydropyran.

Molecular Properties

Compound Name(6R)-6-butyl-6-tert-butyl-2,3-dihydropyran
PubChem CID101414728
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(6R)-6-butyl-6-tert-butyl-2,3-dihydropyran
SMILESCCCC[C@]1(C(C)(C)C)C=CCCO1
InChIInChI=1S/C13H24O/c1-5-6-9-13(12(2,3)4)10-7-8-11-14-13/h7,10H,5-6,8-9,11H2,1-4H3/t13-/m1/s1
InChIKeyNVMNTYXBDHGFSR-CYBMUJFWSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.94
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 (6R)-6-butyl-6-tert-butyl-2,3-dihydropyran?
The IUPAC name of (6R)-6-butyl-6-tert-butyl-2,3-dihydropyran (CID 101414728) is (6R)-6-butyl-6-tert-butyl-2,3-dihydropyran.
What is the SMILES notation for (6R)-6-butyl-6-tert-butyl-2,3-dihydropyran?
The canonical SMILES for (6R)-6-butyl-6-tert-butyl-2,3-dihydropyran is CCCC[C@]1(C(C)(C)C)C=CCCO1.
What is the InChIKey of (6R)-6-butyl-6-tert-butyl-2,3-dihydropyran?
The InChIKey is NVMNTYXBDHGFSR-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H24O/c1-5-6-9-13(12(2,3)4)10-7-8-11-14-13/h7,10H,5-6,8-9,11H2,1-4H3/t13-/m1/s1.
What are the key properties of (6R)-6-butyl-6-tert-butyl-2,3-dihydropyran?
(6R)-6-butyl-6-tert-butyl-2,3-dihydropyran has a molecular weight of 196.33 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-butyl-6-tert-butyl-2,3-dihydropyran is sourced from PubChem (CID 101414728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).