(1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene

C10H16 — CID 11062489

IUPAC(1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
SMILESCC1(C)[C@H]2C=C[C@]1(C)CC2
InChIInChI=1S/C10H16/c1-9(2)8-4-6-10(9,3)7-5-8/h4,6,8H,5,7H2,1-3H3/t8-,10+/m0/s1
InChIKeyKUKRLSJNTMLPPK-WCBMZHEXSA-N
MW136.24 g/mol
LogP3.00
Rot. Bonds

About (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene

(1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene (PubChem CID 11062489) has the molecular formula C10H16 and a molecular weight of 136.24 g/mol. Its IUPAC name is (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name(1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
PubChem CID11062489
Molecular FormulaC10H16
Molecular Weight136.24 g/mol
Exact Mass136.13
IUPAC Name(1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene
SMILESCC1(C)[C@H]2C=C[C@]1(C)CC2
InChIInChI=1S/C10H16/c1-9(2)8-4-6-10(9,3)7-5-8/h4,6,8H,5,7H2,1-3H3/t8-,10+/m0/s1
InChIKeyKUKRLSJNTMLPPK-WCBMZHEXSA-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 (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene (CID 11062489) is (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene is CC1(C)[C@H]2C=C[C@]1(C)CC2.
What is the InChIKey of (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is KUKRLSJNTMLPPK-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H16/c1-9(2)8-4-6-10(9,3)7-5-8/h4,6,8H,5,7H2,1-3H3/t8-,10+/m0/s1.
What are the key properties of (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene?
(1S,4R)-1,7,7-trimethylbicyclo[2.2.1]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 (1S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 11062489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).