ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene

C19H28 — CID 143335391

IUPACethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
SMILESC/C=C\C1=CC(C)(C)C=CC=C1C.CC=C1CCC1
InChIInChI=1S/C13H18.C6H10/c1-5-7-12-10-13(3,4)9-6-8-11(12)2;1-2-6-4-3-5-6/h5-10H,1-4H3;2H,3-5H2,1H3/b7-5-;
InChIKeyCQYQAYAKEGNTGQ-YJOCEBFMSA-N
MW256.43 g/mol
LogP6.15
Rot. Bonds1

About ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene

ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene (PubChem CID 143335391) has the molecular formula C19H28 and a molecular weight of 256.43 g/mol. Its IUPAC name is ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene.

Molecular Properties

Compound Nameethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
PubChem CID143335391
Molecular FormulaC19H28
Molecular Weight256.43 g/mol
Exact Mass256.22
IUPAC Nameethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene
SMILESC/C=C\C1=CC(C)(C)C=CC=C1C.CC=C1CCC1
InChIInChI=1S/C13H18.C6H10/c1-5-7-12-10-13(3,4)9-6-8-11(12)2;1-2-6-4-3-5-6/h5-10H,1-4H3;2H,3-5H2,1H3/b7-5-;
InChIKeyCQYQAYAKEGNTGQ-YJOCEBFMSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[(1Z)-buta-1,3-dienyl]-3,7,7-trimethylcyclohepta-1,3,5-triene
CID 171540710
8,8-dimethyl-1,2,3,4-tetrahydrocyclohepta[b]pyridine;ethane
CID 143347512
(6E)-6-ethylidene-1-methylcyclohexa-1,3-diene
CID 169152065
ethane;2-ethenyl-5,5-dimethyl-3-[(Z)-prop-1-enyl]cyclohepta[b]thiophene 1,1-dioxide
CID 144523460
ethane;methane;4,6,6-trimethyl-2,3-dihydro-1H-azulene
CID 144813213
4-[(E)-prop-1-enyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 20633114
1-ethylidene-5-methylcyclooctane
CID 20872963
1,4-bis[(E)-prop-1-enyl]cyclopenta-1,3-diene
CID 59289880
(1S,4Z)-4-ethylidene-2,2-dimethylcyclohexan-1-ol
CID 101374109
4,4,6,6-tetramethyl-1H-cyclohepta[b]pyridine
CID 166120455
8,8-dimethyl-3,4-dihydro-2H-cyclohepta[c]pyridine-1-thione
CID 143253436
1-bromo-2-[(E)-prop-1-enyl]cyclopentene
CID 10750070

Frequently Asked Questions

What is the IUPAC name of ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene?
The IUPAC name of ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene (CID 143335391) is ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene.
What is the SMILES notation for ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene?
The canonical SMILES for ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene is C/C=C\C1=CC(C)(C)C=CC=C1C.CC=C1CCC1.
What is the InChIKey of ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene?
The InChIKey is CQYQAYAKEGNTGQ-YJOCEBFMSA-N. The full InChI is InChI=1S/C13H18.C6H10/c1-5-7-12-10-13(3,4)9-6-8-11(12)2;1-2-6-4-3-5-6/h5-10H,1-4H3;2H,3-5H2,1H3/b7-5-;.
What are the key properties of ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene?
ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene has a molecular weight of 256.43 g/mol, XLogP of 6.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidenecyclobutane;3,7,7-trimethyl-2-[(Z)-prop-1-enyl]cyclohepta-1,3,5-triene is sourced from PubChem (CID 143335391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).