5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran

C13H20O — CID 46186079

IUPAC5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran
SMILESCCCCC#CC1=CCCOC1(C)C
InChIInChI=1S/C13H20O/c1-4-5-6-7-9-12-10-8-11-14-13(12,2)3/h10H,4-6,8,11H2,1-3H3
InChIKeyDAPOMOAQICLLNS-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.31
Rot. Bonds2

About 5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran

5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran (PubChem CID 46186079) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran.

Molecular Properties

Compound Name5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran
PubChem CID46186079
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran
SMILESCCCCC#CC1=CCCOC1(C)C
InChIInChI=1S/C13H20O/c1-4-5-6-7-9-12-10-8-11-14-13(12,2)3/h10H,4-6,8,11H2,1-3H3
InChIKeyDAPOMOAQICLLNS-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.31
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

2,2-Dimethyl-4-ethynyl-3,6-dihydro-2H-pyran
CID 564308
(E)-2,3-dimethyl-1-[(2-methylpropan-2-yl)oxy]oct-2-en-6-yne
CID 15627587
2,2-Dimethyl-4-vinylethynyl-3,6-dihydropyran
CID 129792136
4-hex-1-ynyl-3,6-dihydro-2H-pyran
CID 164687039
2-Ethyl-3,6,6-trimethyl-2,5-dihydropyran
CID 137392646
4-Ethynyl-6,6-dimethyl-2,3-dihydropyran
CID 12483729
5,6,6-Trimethyl-2,3-dihydropyran
CID 14227156
2-(6,6-Dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane
CID 46186078

Frequently Asked Questions

What is the IUPAC name of 5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran?
The IUPAC name of 5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran (CID 46186079) is 5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran.
What is the SMILES notation for 5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran?
The canonical SMILES for 5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran is CCCCC#CC1=CCCOC1(C)C.
What is the InChIKey of 5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran?
The InChIKey is DAPOMOAQICLLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-5-6-7-9-12-10-8-11-14-13(12,2)3/h10H,4-6,8,11H2,1-3H3.
What are the key properties of 5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran?
5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran has a molecular weight of 192.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran is sourced from PubChem (CID 46186079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).