(1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene

C10H16 — CID 6430755

IUPAC(1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene
SMILESCC1=C[C@@H]2[C@H](CC1)C2(C)C
InChIInChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3/t8-,9+/m0/s1
InChIKeyIBVJWOMJGCHRRW-DTWKUNHWSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds

About (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene

(1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene (PubChem CID 6430755) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name(1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene
PubChem CID6430755
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene
SMILESCC1=C[C@@H]2[C@H](CC1)C2(C)C
InChIInChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3/t8-,9+/m0/s1
InChIKeyIBVJWOMJGCHRRW-DTWKUNHWSA-N
XLogP3.00
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 ≤ 53.00
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 (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene?
The IUPAC name of (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene (CID 6430755) is (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene?
The canonical SMILES for (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene is CC1=C[C@@H]2[C@H](CC1)C2(C)C.
What is the InChIKey of (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene?
The InChIKey is IBVJWOMJGCHRRW-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene?
(1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene has a molecular weight of 136.24 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-3,7,7-trimethylbicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 6430755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).