(2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran

C17H20O — CID 100981830

IUPAC(2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran
SMILESCCCCC#C[C@@H]1C=CC[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H20O/c1-2-3-4-8-12-16-13-9-14-17(18-16)15-10-6-5-7-11-15/h5-7,9-11,13,16-17H,2-4,14H2,1H3/t16-,17+/m1/s1
InChIKeyXHEOVWRGPRNFCQ-SJORKVTESA-N
MW240.35 g/mol
LogP4.27
Rot. Bonds3

About (2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran

(2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran (PubChem CID 100981830) has the molecular formula C17H20O and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran
PubChem CID100981830
Molecular FormulaC17H20O
Molecular Weight240.35 g/mol
Exact Mass240.15
IUPAC Name(2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran
SMILESCCCCC#C[C@@H]1C=CC[C@@H](c2ccccc2)O1
InChIInChI=1S/C17H20O/c1-2-3-4-8-12-16-13-9-14-17(18-16)15-10-6-5-7-11-15/h5-7,9-11,13,16-17H,2-4,14H2,1H3/t16-,17+/m1/s1
InChIKeyXHEOVWRGPRNFCQ-SJORKVTESA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran with MolForge

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Related Compounds

1-[(2R,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one
CID 102335446
(1R,2R)-2-hex-1-ynylcyclopent-3-en-1-ol
CID 14571586
(2R,6S)-2-phenyl-6-(trifluoromethyl)-3,6-dihydro-2H-pyran
CID 162538407
3-hex-1-ynyl-2-phenylcyclohexan-1-one
CID 72778560
3,3-dimethyl-1-[(2S,6R)-2-phenyl-3,6-dihydro-2H-pyran-6-yl]butan-2-one
CID 100981832
(5-hex-1-ynyloxolan-2-yl)-triphenylphosphanium tetrafluoroborate
CID 11533403
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672
2,2-dibutyl-4-phenyl-1,3,2-dioxastannolane
CID 16695949
2-butyl-4-chloro-6-phenyloxane
CID 101188329
2-hex-1-ynyloxirane
CID 13226363
(1S)-1-hex-1-ynyl-2-phenyl-3,4-dihydro-1H-isoquinoline
CID 154718084
(4S,5R)-3-methylidene-4-oct-3-ynyl-5-phenyloxolan-2-one
CID 11000510

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran?
The IUPAC name of (2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran (CID 100981830) is (2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for (2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran?
The canonical SMILES for (2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran is CCCCC#C[C@@H]1C=CC[C@@H](c2ccccc2)O1.
What is the InChIKey of (2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran?
The InChIKey is XHEOVWRGPRNFCQ-SJORKVTESA-N. The full InChI is InChI=1S/C17H20O/c1-2-3-4-8-12-16-13-9-14-17(18-16)15-10-6-5-7-11-15/h5-7,9-11,13,16-17H,2-4,14H2,1H3/t16-,17+/m1/s1.
What are the key properties of (2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran?
(2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran has a molecular weight of 240.35 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-6-hex-1-ynyl-2-phenyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 100981830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).