(1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane

C12H20 — CID 11829780

IUPAC(1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane
SMILESCC1(C)[C@]2(C)[C@H]3CCC[C@H]3[C@]12C
InChIInChI=1S/C12H20/c1-10(2)11(3)8-6-5-7-9(8)12(10,11)4/h8-9H,5-7H2,1-4H3/t8-,9+,11-,12+
InChIKeyGQACMROBZVSVCB-SKWLPYGWSA-N
MW164.29 g/mol
LogP3.47
Rot. Bonds

About (1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane

(1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane (PubChem CID 11829780) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane.

Molecular Properties

Compound Name(1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane
PubChem CID11829780
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane
SMILESCC1(C)[C@]2(C)[C@H]3CCC[C@H]3[C@]12C
InChIInChI=1S/C12H20/c1-10(2)11(3)8-6-5-7-9(8)12(10,11)4/h8-9H,5-7H2,1-4H3/t8-,9+,11-,12+
InChIKeyGQACMROBZVSVCB-SKWLPYGWSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane?
The IUPAC name of (1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane (CID 11829780) is (1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane.
What is the SMILES notation for (1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane?
The canonical SMILES for (1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane is CC1(C)[C@]2(C)[C@H]3CCC[C@H]3[C@]12C.
What is the InChIKey of (1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane?
The InChIKey is GQACMROBZVSVCB-SKWLPYGWSA-N. The full InChI is InChI=1S/C12H20/c1-10(2)11(3)8-6-5-7-9(8)12(10,11)4/h8-9H,5-7H2,1-4H3/t8-,9+,11-,12+.
What are the key properties of (1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane?
(1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane has a molecular weight of 164.29 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S,5S)-2,3,3,4-tetramethyltricyclo[3.3.0.02,4]octane is sourced from PubChem (CID 11829780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).