4-hex-1-ynyl-3,6-dihydro-2H-pyran

C11H16O — CID 164687039

IUPAC4-hex-1-ynyl-3,6-dihydro-2H-pyran
SMILESCCCCC#CC1=CCOCC1
InChIInChI=1S/C11H16O/c1-2-3-4-5-6-11-7-9-12-10-8-11/h7H,2-4,8-10H2,1H3
InChIKeyGJOBLEJQHQSYOZ-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.53
Rot. Bonds2

About 4-hex-1-ynyl-3,6-dihydro-2H-pyran

4-hex-1-ynyl-3,6-dihydro-2H-pyran (PubChem CID 164687039) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-hex-1-ynyl-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-hex-1-ynyl-3,6-dihydro-2H-pyran
PubChem CID164687039
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name4-hex-1-ynyl-3,6-dihydro-2H-pyran
SMILESCCCCC#CC1=CCOCC1
InChIInChI=1S/C11H16O/c1-2-3-4-5-6-11-7-9-12-10-8-11/h7H,2-4,8-10H2,1H3
InChIKeyGJOBLEJQHQSYOZ-UHFFFAOYSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.53
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

(+-)-Nerol oxide
CID 61275
2H-Pyran, 3,6-dihydro-5-(4-methyl-3-pentenyl)-
CID 172806
(2E)-3,7-dimethyl-1-prop-2-ynoxyocta-2,6-diene
CID 12153891
3,6-Dihydro-4-methyl-2H-pyran
CID 85360
(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
CID 11062576
2,2-Dimethyl-4-ethynyl-3,6-dihydro-2H-pyran
CID 564308
4-Methyl-2-propyl-5,6-dihydro-2h-pyran
CID 12283591
Geraniol butyl ether
CID 14083497
5-Propyl-3,6-dihydro-pyran
CID 57155725
5-ethyl-4-prop-2-enyl-3,6-dihydro-2H-pyran
CID 11744822
(3Z,7E)-3,7-dimethyl-1-oxacyclotrideca-3,7-dien-11-yne
CID 13821299
(3E,7E)-3,7-dimethyl-1-oxacyclotrideca-3,7-dien-11-yne
CID 13821300

Frequently Asked Questions

What is the IUPAC name of 4-hex-1-ynyl-3,6-dihydro-2H-pyran?
The IUPAC name of 4-hex-1-ynyl-3,6-dihydro-2H-pyran (CID 164687039) is 4-hex-1-ynyl-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-hex-1-ynyl-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-hex-1-ynyl-3,6-dihydro-2H-pyran is CCCCC#CC1=CCOCC1.
What is the InChIKey of 4-hex-1-ynyl-3,6-dihydro-2H-pyran?
The InChIKey is GJOBLEJQHQSYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-2-3-4-5-6-11-7-9-12-10-8-11/h7H,2-4,8-10H2,1H3.
What are the key properties of 4-hex-1-ynyl-3,6-dihydro-2H-pyran?
4-hex-1-ynyl-3,6-dihydro-2H-pyran has a molecular weight of 164.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hex-1-ynyl-3,6-dihydro-2H-pyran is sourced from PubChem (CID 164687039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).