5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran

C13H20O — CID 139549028

IUPAC5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran
SMILESC=CC1=C(/C=C\C)C(C)(C)COC1C
InChIInChI=1S/C13H20O/c1-6-8-12-11(7-2)10(3)14-9-13(12,4)5/h6-8,10H,2,9H2,1,3-5H3/b8-6-
InChIKeyQCCXWNSJRCGVRT-VURMDHGXSA-N
MW192.30 g/mol
LogP3.49
Rot. Bonds2

About 5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran

5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran (PubChem CID 139549028) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran.

Molecular Properties

Compound Name5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran
PubChem CID139549028
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran
SMILESC=CC1=C(/C=C\C)C(C)(C)COC1C
InChIInChI=1S/C13H20O/c1-6-8-12-11(7-2)10(3)14-9-13(12,4)5/h6-8,10H,2,9H2,1,3-5H3/b8-6-
InChIKeyQCCXWNSJRCGVRT-VURMDHGXSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,5-trimethyl-4-prop-1-enyl-2H-furan
CID 90759600
4,4-dimethyl-2,3-bis[(Z)-prop-1-enyl]-7-oxabicyclo[4.1.0]hept-2-ene
CID 139549033
1,2-bis(ethenyl)-3,3,5,6-tetramethylcyclohexene
CID 145159198
3-ethenyl-2-methyl-4-[(Z)-prop-1-enyl]-2H-furan-5-one
CID 145190678
ethane;2-ethenyl-1,4-difluoro-5,5-dimethyl-3-[(Z)-prop-1-enyl]bicyclo[2.1.1]hex-2-ene
CID 142500255
(3R)-2-ethenyl-3-methyl-1-[(Z)-prop-1-enyl]cyclohexene
CID 145347236
3-ethenyl-1,1,5-trimethyl-2-[(Z)-prop-1-enyl]-4,5-dihydroindene
CID 156827147
1-ethenyl-3,3,4,4,5,5-hexafluoro-2-[(Z)-prop-1-enyl]cyclopentene
CID 142500496
ethane;2-ethenyl-N,3,5,5-tetramethylcyclopent-2-en-1-amine
CID 143272816
2-methyloxirane;bis(prop-1-ene)
CID 157154960
8-ethenyl-7-[(Z)-prop-1-enyl]-3,4,4a,5,6,8a-hexahydro-2H-1,4-benzoxazine
CID 143698493
1-ethenyl-5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,3-dimethyl-2-[(Z)-prop-1-enyl]cyclopentene
CID 145407369

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran?
The IUPAC name of 5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran (CID 139549028) is 5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran.
What is the SMILES notation for 5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran?
The canonical SMILES for 5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran is C=CC1=C(/C=C\C)C(C)(C)COC1C.
What is the InChIKey of 5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran?
The InChIKey is QCCXWNSJRCGVRT-VURMDHGXSA-N. The full InChI is InChI=1S/C13H20O/c1-6-8-12-11(7-2)10(3)14-9-13(12,4)5/h6-8,10H,2,9H2,1,3-5H3/b8-6-.
What are the key properties of 5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran?
5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran has a molecular weight of 192.30 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3,3,6-trimethyl-4-[(Z)-prop-1-enyl]-2,6-dihydropyran is sourced from PubChem (CID 139549028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).