4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran

C13H22O — CID 11830318

IUPAC4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1=C(C(C)(C)C)C(C)COC1
InChIInChI=1S/C13H22O/c1-6-7-11-9-14-8-10(2)12(11)13(3,4)5/h6,10H,1,7-9H2,2-5H3
InChIKeyFSTDAMSYIJIZJE-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.57
Rot. Bonds2

About 4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran

4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran (PubChem CID 11830318) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
PubChem CID11830318
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1=C(C(C)(C)C)C(C)COC1
InChIInChI=1S/C13H22O/c1-6-7-11-9-14-8-10(2)12(11)13(3,4)5/h6,10H,1,7-9H2,2-5H3
InChIKeyFSTDAMSYIJIZJE-UHFFFAOYSA-N
XLogP3.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Butyl-5,6-dihydro-2,4-dimethyl-2H-pyran
CID 3017306
2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
5,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108398
2-Isopropyl-4-methyl-3,6-dihydro-2h-pyran
CID 12283089
1-Ethoxy-2,6-dimethyl-2,7-octadiene
CID 53699554
1-Ethoxy-3,6-dimethyl-2,7-octadiene
CID 87448288
1-Butoxy-3,6-dimethyl-2,7-octadiene
CID 87449611
1-Butoxy-2,6-dimethyl-2,7-octadiene
CID 91083555
3,6-Dimethyl-1-propoxy-2,7-octadiene
CID 91496108
1-Methoxy-4,4-dimethyl-cyclohex-2-ene
CID 558471
4-(3-Methylbut-2-enoxymethyl)cyclohexene
CID 132214576
4-(2-Methylprop-2-enoxymethyl)cyclohexene
CID 132214704

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The IUPAC name of 4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran (CID 11830318) is 4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran is C=CCC1=C(C(C)(C)C)C(C)COC1.
What is the InChIKey of 4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The InChIKey is FSTDAMSYIJIZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-6-7-11-9-14-8-10(2)12(11)13(3,4)5/h6,10H,1,7-9H2,2-5H3.
What are the key properties of 4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran has a molecular weight of 194.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 11830318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).