3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol

C14H20O — CID 13461239

IUPAC3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol
SMILESC=CC1=C(C)C2(O)CCC1(C)CC2C=C
InChIInChI=1S/C14H20O/c1-5-11-9-13(4)7-8-14(11,15)10(3)12(13)6-2/h5-6,11,15H,1-2,7-9H2,3-4H3
InChIKeyROLXKLNIZDRFHI-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.23
Rot. Bonds2

About 3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol

3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol (PubChem CID 13461239) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol.

Molecular Properties

Compound Name3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol
PubChem CID13461239
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol
SMILESC=CC1=C(C)C2(O)CCC1(C)CC2C=C
InChIInChI=1S/C14H20O/c1-5-11-9-13(4)7-8-14(11,15)10(3)12(13)6-2/h5-6,11,15H,1-2,7-9H2,3-4H3
InChIKeyROLXKLNIZDRFHI-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4-tetramethylbicyclo[2.2.2]oct-2-ene
CID 86052906
1,2-bis(ethenyl)-3,3,5,6-tetramethylcyclohexene
CID 145159198
(1R,2S,5R)-5-ethenyl-1-methylcyclopentane-1,2-diol
CID 130456562
(2-ethenyl-1-methylcyclobutyl)silane
CID 173136645
(1R)-2-methyl-1-prop-2-enylcyclopent-2-en-1-ol
CID 101354191
(2-ethenyl-1-methylcyclopropyl)methanimine
CID 91437262
3-ethenyl-2,4,4,6-tetramethylcyclohex-2-en-1-one
CID 89079263
2-ethenyl-1,1,3-trimethyl-5,6-dihydroindene
CID 144766027
trans-(3R,5R)-3,5-bis(ethenyl)-4,4-dimethylcyclohexan-1-one
CID 11513853
cis-diethyl (3R,4R)-4-ethenyl-3-hydroxy-3-phenylcyclopentane-1,1-dicarboxylate
CID 177406220
dimethyl 2-ethenylcyclopropane-1,1-dicarboxylate
CID 10464992
2,3-bis(ethenyl)-1-methylcyclopent-2-ene-1-carboxamide
CID 143603798

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol?
The IUPAC name of 3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol (CID 13461239) is 3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol.
What is the SMILES notation for 3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol?
The canonical SMILES for 3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol is C=CC1=C(C)C2(O)CCC1(C)CC2C=C.
What is the InChIKey of 3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol?
The InChIKey is ROLXKLNIZDRFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-11-9-13(4)7-8-14(11,15)10(3)12(13)6-2/h5-6,11,15H,1-2,7-9H2,3-4H3.
What are the key properties of 3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol?
3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(ethenyl)-2,4-dimethylbicyclo[2.2.2]oct-2-en-1-ol is sourced from PubChem (CID 13461239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).