3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene

C14H20 — CID 143372820

IUPAC3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene
SMILESC=CC1=C(C)C=CC(C)(CCC)C=C1
InChIInChI=1S/C14H20/c1-5-9-14(4)10-7-12(3)13(6-2)8-11-14/h6-8,10-11H,2,5,9H2,1,3-4H3
InChIKeyBRFDVKYRSNNBHG-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.42
Rot. Bonds3

About 3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene

3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene (PubChem CID 143372820) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene
PubChem CID143372820
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene
SMILESC=CC1=C(C)C=CC(C)(CCC)C=C1
InChIInChI=1S/C14H20/c1-5-9-14(4)10-7-12(3)13(6-2)8-11-14/h6-8,10-11H,2,5,9H2,1,3-4H3
InChIKeyBRFDVKYRSNNBHG-UHFFFAOYSA-N
XLogP4.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1,2-bis(ethenyl)-5,7,7-trimethylcyclohepta-1,3,5-triene
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2-[2-(3-butyl-3-methyl-5-prop-1-ynylcyclohepta-1,4,6-trien-1-yl)ethynyl]-7-methyl-7-pent-4-enyl-5-prop-1-ynylcyclohepta-1,3,5-triene
CID 91259786
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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene?
The IUPAC name of 3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene (CID 143372820) is 3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene.
What is the SMILES notation for 3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene?
The canonical SMILES for 3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene is C=CC1=C(C)C=CC(C)(CCC)C=C1.
What is the InChIKey of 3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene?
The InChIKey is BRFDVKYRSNNBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20/c1-5-9-14(4)10-7-12(3)13(6-2)8-11-14/h6-8,10-11H,2,5,9H2,1,3-4H3.
What are the key properties of 3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene?
3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene has a molecular weight of 188.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4,7-dimethyl-7-propylcyclohepta-1,3,5-triene is sourced from PubChem (CID 143372820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).