(1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane

C14H24 — CID 91715050

IUPAC(1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane
SMILESC/C=C1\C[C@H]2CC[C@@H](C)[C@]1(C)C2(C)C
InChIInChI=1S/C14H24/c1-6-11-9-12-8-7-10(2)14(11,5)13(12,3)4/h6,10,12H,7-9H2,1-5H3/b11-6+/t10-,12-,14+/m1/s1
InChIKeyFMOZOFOCONBPNY-RAYWUTBOSA-N
MW192.35 g/mol
LogP4.41
Rot. Bonds

About (1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane

(1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane (PubChem CID 91715050) has the molecular formula C14H24 and a molecular weight of 192.35 g/mol. Its IUPAC name is (1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane
PubChem CID91715050
Molecular FormulaC14H24
Molecular Weight192.35 g/mol
Exact Mass192.19
IUPAC Name(1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane
SMILESC/C=C1\C[C@H]2CC[C@@H](C)[C@]1(C)C2(C)C
InChIInChI=1S/C14H24/c1-6-11-9-12-8-7-10(2)14(11,5)13(12,3)4/h6,10,12H,7-9H2,1-5H3/b11-6+/t10-,12-,14+/m1/s1
InChIKeyFMOZOFOCONBPNY-RAYWUTBOSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 54.41
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,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane?
The IUPAC name of (1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane (CID 91715050) is (1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane.
What is the SMILES notation for (1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane?
The canonical SMILES for (1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane is C/C=C1\C[C@H]2CC[C@@H](C)[C@]1(C)C2(C)C.
What is the InChIKey of (1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane?
The InChIKey is FMOZOFOCONBPNY-RAYWUTBOSA-N. The full InChI is InChI=1S/C14H24/c1-6-11-9-12-8-7-10(2)14(11,5)13(12,3)4/h6,10,12H,7-9H2,1-5H3/b11-6+/t10-,12-,14+/m1/s1.
What are the key properties of (1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane?
(1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane has a molecular weight of 192.35 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,7E)-7-ethylidene-1,2,8,8-tetramethylbicyclo[3.2.1]octane is sourced from PubChem (CID 91715050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).