1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene

C14H18 — CID 143777931

IUPAC1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene
SMILESC=CC1=C(C=C)C(C)(C)C=C(C)C=C1
InChIInChI=1S/C14H18/c1-6-12-9-8-11(3)10-14(4,5)13(12)7-2/h6-10H,1-2H2,3-5H3
InChIKeyBGXVZFLPELOOKX-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.20
Rot. Bonds2

About 1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene

1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene (PubChem CID 143777931) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene
PubChem CID143777931
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene
SMILESC=CC1=C(C=C)C(C)(C)C=C(C)C=C1
InChIInChI=1S/C14H18/c1-6-12-9-8-11(3)10-14(4,5)13(12)7-2/h6-10H,1-2H2,3-5H3
InChIKeyBGXVZFLPELOOKX-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,3,5,7,7-pentamethylcyclohepta-1,3,5-triene
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CID 142022786
2-ethenyl-1,1,3-trimethyl-5,6-dihydroindene
CID 144766027
3-ethenyl-4,4-dimethylcyclohexa-2,5-dien-1-one
CID 101379478
1-[(1Z)-buta-1,3-dienyl]-2,3,3,6,6-pentamethylcyclohexa-1,4-diene
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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene?
The IUPAC name of 1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene (CID 143777931) is 1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene?
The canonical SMILES for 1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene is C=CC1=C(C=C)C(C)(C)C=C(C)C=C1.
What is the InChIKey of 1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene?
The InChIKey is BGXVZFLPELOOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-6-12-9-8-11(3)10-14(4,5)13(12)7-2/h6-10H,1-2H2,3-5H3.
What are the key properties of 1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene?
1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene has a molecular weight of 186.30 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 143777931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).