(1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene

C10H16 — CID 162825067

IUPAC(1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene
SMILESCC1(C)C=C[C@H]2[C@@H]1C2(C)C
InChIInChI=1S/C10H16/c1-9(2)6-5-7-8(9)10(7,3)4/h5-8H,1-4H3/t7-,8-/m0/s1
InChIKeyVADWNFZKNBIGHP-YUMQZZPRSA-N
MW136.24 g/mol
LogP2.85
Rot. Bonds

About (1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene

(1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene (PubChem CID 162825067) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene.

Molecular Properties

Compound Name(1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene
PubChem CID162825067
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene
SMILESCC1(C)C=C[C@H]2[C@@H]1C2(C)C
InChIInChI=1S/C10H16/c1-9(2)6-5-7-8(9)10(7,3)4/h5-8H,1-4H3/t7-,8-/m0/s1
InChIKeyVADWNFZKNBIGHP-YUMQZZPRSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.24
LogP ≤ 52.85
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 (1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene?
The IUPAC name of (1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene (CID 162825067) is (1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene.
What is the SMILES notation for (1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene?
The canonical SMILES for (1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene is CC1(C)C=C[C@H]2[C@@H]1C2(C)C.
What is the InChIKey of (1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene?
The InChIKey is VADWNFZKNBIGHP-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16/c1-9(2)6-5-7-8(9)10(7,3)4/h5-8H,1-4H3/t7-,8-/m0/s1.
What are the key properties of (1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene?
(1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene has a molecular weight of 136.24 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,4,6,6-tetramethylbicyclo[3.1.0]hex-2-ene is sourced from PubChem (CID 162825067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).