6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran

C16H26O — CID 46186076

IUPAC6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran
SMILESCCCCC#CC1=CCCOC1(C)CCCC
InChIInChI=1S/C16H26O/c1-4-6-8-9-11-15-12-10-14-17-16(15,3)13-7-5-2/h12H,4-8,10,13-14H2,1-3H3
InChIKeyHBLPOKBLPWEFRK-UHFFFAOYSA-N
MW234.38 g/mol
LogP4.48
Rot. Bonds5

About 6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran

6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran (PubChem CID 46186076) has the molecular formula C16H26O and a molecular weight of 234.38 g/mol. Its IUPAC name is 6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran.

Molecular Properties

Compound Name6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran
PubChem CID46186076
Molecular FormulaC16H26O
Molecular Weight234.38 g/mol
Exact Mass234.20
IUPAC Name6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran
SMILESCCCCC#CC1=CCCOC1(C)CCCC
InChIInChI=1S/C16H26O/c1-4-6-8-9-11-15-12-10-14-17-16(15,3)13-7-5-2/h12H,4-8,10,13-14H2,1-3H3
InChIKeyHBLPOKBLPWEFRK-UHFFFAOYSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.38
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Butyl-5,6-dihydro-2,4-dimethyl-2H-pyran
CID 3017306
1-Oxaspiro(5.5)undec-4-ene, 4-methyl-
CID 642949
9-Methyl-6-oxaspiro[4.5]dec-8-ene
CID 642972
(6S)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene
CID 11182804
(+)-(5s)-3-Ethynyl-5-isopropenyl-3-methoxy-2-methylcyclohexene
CID 129750249
3-Ethynyl-5-isopropenyl-3-methoxy-2-methylcyclohexene
CID 129750560
(6R)-9-methyl-1-oxaspiro[5.5]undeca-3,9-diene
CID 134995987
2-Hept-1-ynyl-1-(4-pent-2-ynoxybut-2-ynyl)cyclohex-2-en-1-ol
CID 166447843
6-Ethynyl-1-methyl-6-prop-2-enoxy-4-prop-1-en-2-ylcyclohexene
CID 21609446
4-Methyl-1-oxaspiro[5.5]undeca-3,10-diene
CID 101895299
2-Butyl-2,4-dimethyl-3,6-dihydro-2H-pyran
CID 12328777
6,6-Diethyl-4-methyl-2,5-dihydropyran
CID 12336913

Frequently Asked Questions

What is the IUPAC name of 6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran?
The IUPAC name of 6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran (CID 46186076) is 6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran.
What is the SMILES notation for 6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran?
The canonical SMILES for 6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran is CCCCC#CC1=CCCOC1(C)CCCC.
What is the InChIKey of 6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran?
The InChIKey is HBLPOKBLPWEFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O/c1-4-6-8-9-11-15-12-10-14-17-16(15,3)13-7-5-2/h12H,4-8,10,13-14H2,1-3H3.
What are the key properties of 6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran?
6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran has a molecular weight of 234.38 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-5-hex-1-ynyl-6-methyl-2,3-dihydropyran is sourced from PubChem (CID 46186076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).