4-ethynyl-6,6-dimethyl-2,5-dihydropyran

C9H12O — CID 564308

IUPAC4-ethynyl-6,6-dimethyl-2,5-dihydropyran
SMILESC#CC1=CCOC(C)(C)C1
InChIInChI=1S/C9H12O/c1-4-8-5-6-10-9(2,3)7-8/h1,5H,6-7H2,2-3H3
InChIKeyVJWJZPNGHLCFNO-UHFFFAOYSA-N
MW136.19 g/mol
LogP1.74
Rot. Bonds

About 4-ethynyl-6,6-dimethyl-2,5-dihydropyran

4-ethynyl-6,6-dimethyl-2,5-dihydropyran (PubChem CID 564308) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 4-ethynyl-6,6-dimethyl-2,5-dihydropyran.

Molecular Properties

Compound Name4-ethynyl-6,6-dimethyl-2,5-dihydropyran
PubChem CID564308
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name4-ethynyl-6,6-dimethyl-2,5-dihydropyran
SMILESC#CC1=CCOC(C)(C)C1
InChIInChI=1S/C9H12O/c1-4-8-5-6-10-9(2,3)7-8/h1,5H,6-7H2,2-3H3
InChIKeyVJWJZPNGHLCFNO-UHFFFAOYSA-N
XLogP1.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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
(3R)-3,7-dimethyl-3-prop-2-ynoxyocta-1,6-diene
CID 44433587
3,6,6-Trimethyl-5-prop-2-enyl-2,3-dihydropyran
CID 11095002
3,7-Dimethyl-3-prop-2-enoxyoct-6-en-1-yne
CID 86253663
2,2-Dimethyl-4-vinylethynyl-3,6-dihydropyran
CID 129792136
lithium (2S)-2-ethynyl-4-methyl-3,6-dihydro-2H-pyran
CID 134832537
2,4,6-Trimethyl-6-(2-methylpropyl)-2,3-dihydropyran
CID 134995841
6-Ethyl-2,4,6-trimethyl-2,3-dihydropyran
CID 134996007
4-hex-1-ynyl-3,6-dihydro-2H-pyran
CID 164687039
2H-Pyran, 2-ethyl-5,6-dihydro-2,4-dimethyl-
CID 12283093
6,6-Dimethyl-5-propan-2-yl-2,3-dihydropyran
CID 14593317
2,2,4-Trimethyl-3,6-dihydro-2H-pyran
CID 11040709

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-6,6-dimethyl-2,5-dihydropyran?
The IUPAC name of 4-ethynyl-6,6-dimethyl-2,5-dihydropyran (CID 564308) is 4-ethynyl-6,6-dimethyl-2,5-dihydropyran.
What is the SMILES notation for 4-ethynyl-6,6-dimethyl-2,5-dihydropyran?
The canonical SMILES for 4-ethynyl-6,6-dimethyl-2,5-dihydropyran is C#CC1=CCOC(C)(C)C1.
What is the InChIKey of 4-ethynyl-6,6-dimethyl-2,5-dihydropyran?
The InChIKey is VJWJZPNGHLCFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-4-8-5-6-10-9(2,3)7-8/h1,5H,6-7H2,2-3H3.
What are the key properties of 4-ethynyl-6,6-dimethyl-2,5-dihydropyran?
4-ethynyl-6,6-dimethyl-2,5-dihydropyran has a molecular weight of 136.19 g/mol, XLogP of 1.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-6,6-dimethyl-2,5-dihydropyran is sourced from PubChem (CID 564308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).