5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran

C12H16O — CID 142547654

IUPAC5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran
SMILESC=CC1=C(C2CC2)C=C(CC)CO1
InChIInChI=1S/C12H16O/c1-3-9-7-11(10-5-6-10)12(4-2)13-8-9/h4,7,10H,2-3,5-6,8H2,1H3
InChIKeyZUIWOTCQPHMNDV-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.20
Rot. Bonds3

About 5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran

5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran (PubChem CID 142547654) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran.

Molecular Properties

Compound Name5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran
PubChem CID142547654
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran
SMILESC=CC1=C(C2CC2)C=C(CC)CO1
InChIInChI=1S/C12H16O/c1-3-9-7-11(10-5-6-10)12(4-2)13-8-9/h4,7,10H,2-3,5-6,8H2,1H3
InChIKeyZUIWOTCQPHMNDV-UHFFFAOYSA-N
XLogP3.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethenyl-1-ethylcyclopenta-1,3-diene
CID 18798361
(3R)-5,6-bis(ethenyl)-3-ethyl-3,4-dihydro-2H-pyran
CID 143913732
ethane;3-ethyl-2H-chromene;3-methyl-2H-chromene
CID 171088384
5,6-bis(ethenyl)-3-methylidene-1,4-dioxine
CID 145121795
methyl (2E)-2-(3-ethyl-2H-furan-5-ylidene)hexanoate
CID 10561109
6-ethenyl-1-ethylcycloheptene
CID 141316473
4-ethenyl-2,6-diethylpyridine
CID 23503903
2-cyclopropyl-5-ethyl-1,3-oxazole
CID 146588546
2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane
CID 168899023
(Z)-but-2-ene;1,4-diethylcyclohexa-1,3-diene
CID 143221988
5-ethenyl-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65413474
2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82456453

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran?
The IUPAC name of 5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran (CID 142547654) is 5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran.
What is the SMILES notation for 5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran?
The canonical SMILES for 5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran is C=CC1=C(C2CC2)C=C(CC)CO1.
What is the InChIKey of 5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran?
The InChIKey is ZUIWOTCQPHMNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-9-7-11(10-5-6-10)12(4-2)13-8-9/h4,7,10H,2-3,5-6,8H2,1H3.
What are the key properties of 5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran?
5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran has a molecular weight of 176.26 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-6-ethenyl-3-ethyl-2H-pyran is sourced from PubChem (CID 142547654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).