2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene

C15H20 — CID 143203794

IUPAC2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
SMILESC=CC1=CC(C)C=C(CC)C=C1/C=C\C
InChIInChI=1S/C15H20/c1-5-8-15-11-13(6-2)9-12(4)10-14(15)7-3/h5,7-12H,3,6H2,1-2,4H3/b8-5-
InChIKeyVKMVWVHHYRCGLS-YVMONPNESA-N
MW200.32 g/mol
LogP4.59
Rot. Bonds3

About 2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene

2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene (PubChem CID 143203794) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
PubChem CID143203794
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
SMILESC=CC1=CC(C)C=C(CC)C=C1/C=C\C
InChIInChI=1S/C15H20/c1-5-8-15-11-13(6-2)9-12(4)10-14(15)7-3/h5,7-12H,3,6H2,1-2,4H3/b8-5-
InChIKeyVKMVWVHHYRCGLS-YVMONPNESA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-bis(ethenyl)-5-methylcyclohexa-1,3-diene
CID 123379590
2,3-diethyl-5-methylcyclopenta-1,3-diene
CID 152862708
1-ethenyl-2-ethyl-3-prop-1-enylbenzene
CID 90726745
1,3-diethylcyclobuta-1,3-diene
CID 21364081
5-methylidene-4-prop-1-enyl-2H-furan
CID 123639745
1,5-bis(ethenyl)-2-methyl-3,4,6-tris[(Z)-prop-1-enyl]benzene
CID 143846029
1-ethyl-3-prop-1-enylcyclopenta-1,3-diene
CID 57313548
(2E,3Z,6E)-5-ethenyl-2-ethylidene-3-prop-2-enylidene-6-propylidenepyran
CID 155095674
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956
3-ethenyl-6-prop-1-enyl-1H-inden-1-amine
CID 162275013
2-ethyl-3aH-indene
CID 23399067
1,5-dimethyl-3-[(E)-prop-1-enyl]cyclohexa-1,3-diene
CID 143620880

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene?
The IUPAC name of 2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene (CID 143203794) is 2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene.
What is the SMILES notation for 2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene?
The canonical SMILES for 2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene is C=CC1=CC(C)C=C(CC)C=C1/C=C\C.
What is the InChIKey of 2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene?
The InChIKey is VKMVWVHHYRCGLS-YVMONPNESA-N. The full InChI is InChI=1S/C15H20/c1-5-8-15-11-13(6-2)9-12(4)10-14(15)7-3/h5,7-12H,3,6H2,1-2,4H3/b8-5-.
What are the key properties of 2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene?
2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene has a molecular weight of 200.32 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-ethyl-7-methyl-3-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene is sourced from PubChem (CID 143203794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).