5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran

C12H18O — CID 156791141

IUPAC5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran
SMILESC=CC1=C(C=C)C(C(C)C)CCO1
InChIInChI=1S/C12H18O/c1-5-10-11(9(3)4)7-8-13-12(10)6-2/h5-6,9,11H,1-2,7-8H2,3-4H3
InChIKeyJFAHZRFKGAWIET-UHFFFAOYSA-N
MW178.27 g/mol
LogP3.31
Rot. Bonds3

About 5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran

5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran (PubChem CID 156791141) has the molecular formula C12H18O and a molecular weight of 178.27 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran
PubChem CID156791141
Molecular FormulaC12H18O
Molecular Weight178.27 g/mol
Exact Mass178.14
IUPAC Name5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran
SMILESC=CC1=C(C=C)C(C(C)C)CCO1
InChIInChI=1S/C12H18O/c1-5-10-11(9(3)4)7-8-13-12(10)6-2/h5-6,9,11H,1-2,7-8H2,3-4H3
InChIKeyJFAHZRFKGAWIET-UHFFFAOYSA-N
XLogP3.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.27
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-bis(ethenyl)-3-propan-2-ylcyclopentene
CID 157035883
2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane
CID 168899023
(2-ethenyl-5-propan-2-ylcyclopenten-1-yl)methanimine
CID 177053781
5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-oxazine
CID 143157637
(3R)-3-[(3S)-pent-1-en-3-yl]oxolan-2-one
CID 45276221
2,3-bis(ethenyl)-6-propan-2-ylcyclohex-2-en-1-ol;ethane
CID 145337905
5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine
CID 123877582
2-methylidene-1,3-di(propan-2-yl)cyclopentane
CID 58567630
5,6-bis(ethenyl)-4-ethyl-2,3-dihydro-1,4-oxazine
CID 144557216
(3R)-3-[(E,1R)-1-hydroxybut-2-enyl]oxolan-2-one
CID 100975981
5,6-bis(ethenyl)-2-(2-methylpropyl)-2,3-dihydro-1,4-dioxine
CID 156791644
1-[5,6-bis(ethenyl)-3,4-dihydro-2H-1,4-oxazin-3-yl]-2-methylpropan-1-one;ethane
CID 163241818

Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran?
The IUPAC name of 5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran (CID 156791141) is 5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran?
The canonical SMILES for 5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran is C=CC1=C(C=C)C(C(C)C)CCO1.
What is the InChIKey of 5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran?
The InChIKey is JFAHZRFKGAWIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O/c1-5-10-11(9(3)4)7-8-13-12(10)6-2/h5-6,9,11H,1-2,7-8H2,3-4H3.
What are the key properties of 5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran?
5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran has a molecular weight of 178.27 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 156791141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).