(1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane

C11H20 — CID 135044861

IUPAC(1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane
SMILESC[C@H]1[C@H]2[C@@H](CC[C@@H]1C)C2(C)C
InChIInChI=1S/C11H20/c1-7-5-6-9-10(8(7)2)11(9,3)4/h7-10H,5-6H2,1-4H3/t7-,8+,9+,10-/m0/s1
InChIKeyGTQWHVGHXGXYGX-JLIMGVALSA-N
MW152.28 g/mol
LogP3.32
Rot. Bonds

About (1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane

(1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane (PubChem CID 135044861) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane
PubChem CID135044861
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane
SMILESC[C@H]1[C@H]2[C@@H](CC[C@@H]1C)C2(C)C
InChIInChI=1S/C11H20/c1-7-5-6-9-10(8(7)2)11(9,3)4/h7-10H,5-6H2,1-4H3/t7-,8+,9+,10-/m0/s1
InChIKeyGTQWHVGHXGXYGX-JLIMGVALSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Carane
CID 79043
1-Isopropyl-1,4,5-trimethylcyclohexane
CID 252330
Bicyclo(4.1.0)heptane, 3,7,7-trimethyl-, (1alpha,3alpha,6alpha)-
CID 12302439
1,1,3,4-Tetramethylcyclohexane
CID 15102861
Tetracyclo(6.1.0.02,4.05,7)nonane, 3,3,6,6,9,9-hexamethyl-, (1alpha,2alpha,4alpha,5beta,7beta,8alpha)-
CID 142890
1-Methylbicyclo(4.1.0)heptane
CID 137602
2,4a,8,8-Tetramethyldecahydrocyclopropa[d]naphthalene
CID 579617
cis-Carane
CID 12302437
Aristolane
CID 6857473
4-Methylspiro[2.5]octane
CID 15329636
2-t-Butyl-4-methyl-1-isopropylcyclohexane
CID 22089335
1,2-Dimethyl-4-(t-butyl)-cyclohexane
CID 54196830

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane?
The IUPAC name of (1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane (CID 135044861) is (1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane.
What is the SMILES notation for (1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane?
The canonical SMILES for (1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane is C[C@H]1[C@H]2[C@@H](CC[C@@H]1C)C2(C)C.
What is the InChIKey of (1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane?
The InChIKey is GTQWHVGHXGXYGX-JLIMGVALSA-N. The full InChI is InChI=1S/C11H20/c1-7-5-6-9-10(8(7)2)11(9,3)4/h7-10H,5-6H2,1-4H3/t7-,8+,9+,10-/m0/s1.
What are the key properties of (1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane?
(1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,6R)-2,3,7,7-tetramethylbicyclo[4.1.0]heptane is sourced from PubChem (CID 135044861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).