ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene

C16H28 — CID 144774189

IUPACethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene
SMILESC=C.CC.CC1[C@@H](C)C1(C)C1=CCCC=C1
InChIInChI=1S/C12H18.C2H6.C2H4/c1-9-10(2)12(9,3)11-7-5-4-6-8-11;2*1-2/h5,7-10H,4,6H2,1-3H3;1-2H3;1-2H2/t9-,10?,12?;;/m1../s1
InChIKeyCQNWDSRKFABVFE-CNDGEQJASA-N
MW220.40 g/mol
LogP5.38
Rot. Bonds1

About ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene

ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene (PubChem CID 144774189) has the molecular formula C16H28 and a molecular weight of 220.40 g/mol. Its IUPAC name is ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Nameethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene
PubChem CID144774189
Molecular FormulaC16H28
Molecular Weight220.40 g/mol
Exact Mass220.22
IUPAC Nameethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene
SMILESC=C.CC.CC1[C@@H](C)C1(C)C1=CCCC=C1
InChIInChI=1S/C12H18.C2H6.C2H4/c1-9-10(2)12(9,3)11-7-5-4-6-8-11;2*1-2/h5,7-10H,4,6H2,1-3H3;1-2H3;1-2H2/t9-,10?,12?;;/m1../s1
InChIKeyCQNWDSRKFABVFE-CNDGEQJASA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500220.40
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene?
The IUPAC name of ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene (CID 144774189) is ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene.
What is the SMILES notation for ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene?
The canonical SMILES for ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene is C=C.CC.CC1[C@@H](C)C1(C)C1=CCCC=C1.
What is the InChIKey of ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene?
The InChIKey is CQNWDSRKFABVFE-CNDGEQJASA-N. The full InChI is InChI=1S/C12H18.C2H6.C2H4/c1-9-10(2)12(9,3)11-7-5-4-6-8-11;2*1-2/h5,7-10H,4,6H2,1-3H3;1-2H3;1-2H2/t9-,10?,12?;;/m1../s1.
What are the key properties of ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene?
ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene has a molecular weight of 220.40 g/mol, XLogP of 5.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;2-[(2R)-1,2,3-trimethylcyclopropyl]cyclohexa-1,3-diene is sourced from PubChem (CID 144774189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).