ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene

C9H16 — CID 142063012

IUPACethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene
SMILESCC.CC1=C2CCC[C@@H]12
InChIInChI=1S/C7H10.C2H6/c1-5-6-3-2-4-7(5)6;1-2/h6H,2-4H2,1H3;1-2H3/t6-;/m0./s1
InChIKeyIPCAGTYAGIPTTL-RGMNGODLSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds

About ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene

ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene (PubChem CID 142063012) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene.

Molecular Properties

Compound Nameethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene
PubChem CID142063012
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Nameethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene
SMILESCC.CC1=C2CCC[C@@H]12
InChIInChI=1S/C7H10.C2H6/c1-5-6-3-2-4-7(5)6;1-2/h6H,2-4H2,1H3;1-2H3/t6-;/m0./s1
InChIKeyIPCAGTYAGIPTTL-RGMNGODLSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
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;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene?
The IUPAC name of ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene (CID 142063012) is ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene.
What is the SMILES notation for ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene?
The canonical SMILES for ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene is CC.CC1=C2CCC[C@@H]12.
What is the InChIKey of ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene?
The InChIKey is IPCAGTYAGIPTTL-RGMNGODLSA-N. The full InChI is InChI=1S/C7H10.C2H6/c1-5-6-3-2-4-7(5)6;1-2/h6H,2-4H2,1H3;1-2H3/t6-;/m0./s1.
What are the key properties of ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene?
ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene has a molecular weight of 124.23 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5S)-6-methylbicyclo[3.1.0]hex-1(6)-ene is sourced from PubChem (CID 142063012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).