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

C13H22O — CID 10932334

IUPAC4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1=C(CCCC)C(C)COC1
InChIInChI=1S/C13H22O/c1-4-6-8-13-11(3)9-14-10-12(13)7-5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyBTRQTPPQBKKTGY-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.72
Rot. Bonds5

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

4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran (PubChem CID 10932334) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
PubChem CID10932334
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran
SMILESC=CCC1=C(CCCC)C(C)COC1
InChIInChI=1S/C13H22O/c1-4-6-8-13-11(3)9-14-10-12(13)7-5-2/h5,11H,2,4,6-10H2,1,3H3
InChIKeyBTRQTPPQBKKTGY-UHFFFAOYSA-N
XLogP3.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.72
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

1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
CID 20268659
Cyclopentene, 2-(ethoxymethyl)-1-methyl-3-(1-methylethenyl)-
CID 60138535
2H-Pyran, 3,6-dihydro-4-(4-methyl-3-penten-1-yl)-
CID 91909
3,6-dihydro-4-methyl-2-(2-methylpropyl)-2H-pyran
CID 108400
1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene
CID 377298
cis-3-Ethoxy-p-menth-1-ene
CID 85842332
1-Ethoxy-p-menth-2-ene
CID 92004572
(4S)-4-prop-1-en-2-yl-1-(prop-2-ynoxymethyl)cyclohexene
CID 44433588
(9S,11R)-9,11,14-trimethyl-1-(3-methylhexadec-2-enoxy)pentadecane
CID 162911291
1-[(Propan-2-yl)oxy]bicyclo[4.2.2]deca-7,9-diene
CID 14040625
4-butyl-5,5-dimethyl-3-prop-2-enyl-2H-furan
CID 102371046
2-Octene, 2,6-dimethyl-8-(2-propenyloxy)-
CID 11367599

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The IUPAC name of 4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran (CID 10932334) is 4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran is C=CCC1=C(CCCC)C(C)COC1.
What is the InChIKey of 4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
The InChIKey is BTRQTPPQBKKTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O/c1-4-6-8-13-11(3)9-14-10-12(13)7-5-2/h5,11H,2,4,6-10H2,1,3H3.
What are the key properties of 4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran?
4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran has a molecular weight of 194.32 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-methyl-5-prop-2-enyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 10932334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).