5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran

C13H16O — CID 11286929

IUPAC5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran
SMILESC(#CC1=COCCC1)C1=CCCCC1
InChIInChI=1S/C13H16O/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h5,11H,1-4,6-7,10H2
InChIKeyLUYLXIOZTXXPIL-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.18
Rot. Bonds

About 5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran

5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran (PubChem CID 11286929) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran
PubChem CID11286929
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran
SMILESC(#CC1=COCCC1)C1=CCCCC1
InChIInChI=1S/C13H16O/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h5,11H,1-4,6-7,10H2
InChIKeyLUYLXIOZTXXPIL-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.18
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

1-[3-[3-(cyclohexen-1-yl)prop-2-ynylsulfanyl]prop-1-ynyl]cyclohexene
CID 15500113
1-[2-(cyclohexen-1-yl)ethynyl]cyclohexan-1-ol
CID 10398004
4-(cyclohexen-1-yl)-N,N-dimethylbut-3-yn-2-amine
CID 91031840
1-(3-methoxybut-1-ynyl)cyclohexene
CID 91390074
1-(3,3-diethoxyprop-1-ynyl)cyclohexene
CID 13244494
9-[2-(cyclohexen-1-yl)ethynyl]phenanthrene
CID 102411203
1-(cyclohexen-1-yl)hex-1-yn-3-ol
CID 16724041
2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 116661734
3-[4-[2-(cyclohexen-1-yl)ethynyl]phenyl]propanoic acid
CID 127030714
4-[2-(cyclohexen-1-yl)ethynyl]phthalic acid
CID 24823169
N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 116662001
1-(cyclohexen-1-yl)-3-methyl-4-sulfanylpent-1-yn-3-ol
CID 71500827

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran (CID 11286929) is 5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran is C(#CC1=COCCC1)C1=CCCCC1.
What is the InChIKey of 5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran?
The InChIKey is LUYLXIOZTXXPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h5,11H,1-4,6-7,10H2.
What are the key properties of 5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran?
5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran has a molecular weight of 188.27 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclohexen-1-yl)ethynyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 11286929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).