(1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane

C11H20 — CID 140963984

IUPAC(1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane
SMILESCC(C)(C)CC1C[C@@H]2C[C@@H]2C1
InChIInChI=1S/C11H20/c1-11(2,3)7-8-4-9-6-10(9)5-8/h8-10H,4-7H2,1-3H3/t8?,9-,10+
InChIKeyMXCOYSFZLKOFPD-PBINXNQUSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds1

About (1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane

(1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane (PubChem CID 140963984) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is (1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane
PubChem CID140963984
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name(1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane
SMILESCC(C)(C)CC1C[C@@H]2C[C@@H]2C1
InChIInChI=1S/C11H20/c1-11(2,3)7-8-4-9-6-10(9)5-8/h8-10H,4-7H2,1-3H3/t8?,9-,10+
InChIKeyMXCOYSFZLKOFPD-PBINXNQUSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane (CID 140963984) is (1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane is CC(C)(C)CC1C[C@@H]2C[C@@H]2C1.
What is the InChIKey of (1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane?
The InChIKey is MXCOYSFZLKOFPD-PBINXNQUSA-N. The full InChI is InChI=1S/C11H20/c1-11(2,3)7-8-4-9-6-10(9)5-8/h8-10H,4-7H2,1-3H3/t8?,9-,10+.
What are the key properties of (1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane?
(1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane has a molecular weight of 152.28 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-(2,2-dimethylpropyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 140963984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).