ethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene

C17H24 — CID 143220591

IUPACethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene
SMILESCC.CCC(c1ccccc1)C12C=CCC1C2
InChIInChI=1S/C15H18.C2H6/c1-2-14(12-7-4-3-5-8-12)15-10-6-9-13(15)11-15;1-2/h3-8,10,13-14H,2,9,11H2,1H3;1-2H3
InChIKeyMYHWSOOSDIWTLM-UHFFFAOYSA-N
MW228.38 g/mol
LogP5.17
Rot. Bonds3

About ethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene

ethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene (PubChem CID 143220591) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is ethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Nameethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene
PubChem CID143220591
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Nameethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene
SMILESCC.CCC(c1ccccc1)C12C=CCC1C2
InChIInChI=1S/C15H18.C2H6/c1-2-14(12-7-4-3-5-8-12)15-10-6-9-13(15)11-15;1-2/h3-8,10,13-14H,2,9,11H2,1H3;1-2H3
InChIKeyMYHWSOOSDIWTLM-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.17
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

P-Cymene
CID 7463
Cumene
CID 7406
Pentylbenzene
CID 10864
Tert-Butylbenzene
CID 7366
4-tert-Butyltoluene
CID 7390
Isobutylbenzene
CID 10870
M-Cymene
CID 10812
O-Cymene
CID 10703
Curcumene
CID 92139
1,3-Diisopropylbenzene
CID 7450
Sec-Butylbenzene
CID 8680
Hexylbenzene
CID 14109

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene?
The IUPAC name of ethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene (CID 143220591) is ethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for ethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene?
The canonical SMILES for ethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene is CC.CCC(c1ccccc1)C12C=CCC1C2.
What is the InChIKey of ethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene?
The InChIKey is MYHWSOOSDIWTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C2H6/c1-2-14(12-7-4-3-5-8-12)15-10-6-9-13(15)11-15;1-2/h3-8,10,13-14H,2,9,11H2,1H3;1-2H3.
What are the key properties of ethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene?
ethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene has a molecular weight of 228.38 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-phenylpropyl)bicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 143220591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).