(1R,5S)-3-tert-butylbicyclo[3.1.0]hexane

C10H18 — CID 172509136

IUPAC(1R,5S)-3-tert-butylbicyclo[3.1.0]hexane
SMILESCC(C)(C)C1C[C@@H]2C[C@@H]2C1
InChIInChI=1S/C10H18/c1-10(2,3)9-5-7-4-8(7)6-9/h7-9H,4-6H2,1-3H3/t7-,8+,9?
InChIKeyOXHLADAVQMJNLO-JVHMLUBASA-N
MW138.25 g/mol
LogP3.08
Rot. Bonds

About (1R,5S)-3-tert-butylbicyclo[3.1.0]hexane

(1R,5S)-3-tert-butylbicyclo[3.1.0]hexane (PubChem CID 172509136) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is (1R,5S)-3-tert-butylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,5S)-3-tert-butylbicyclo[3.1.0]hexane
PubChem CID172509136
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name(1R,5S)-3-tert-butylbicyclo[3.1.0]hexane
SMILESCC(C)(C)C1C[C@@H]2C[C@@H]2C1
InChIInChI=1S/C10H18/c1-10(2,3)9-5-7-4-8(7)6-9/h7-9H,4-6H2,1-3H3/t7-,8+,9?
InChIKeyOXHLADAVQMJNLO-JVHMLUBASA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-tert-butyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 59716049
1,3-ditert-butylcyclopentane;ethane
CID 161179598
1-tert-butyl-3-(3-tert-butylcyclobutyl)cyclobutane;3,7-ditert-butylbicyclo[3.3.1]nonane;1,3-ditert-butylcyclobutane;2,6-ditert-butylspiro[3.3]heptane
CID 159792819
(3aS,5S,6aS)-5-tert-butyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan
CID 58853131
(3aS,5S,6aS)-2,5-ditert-butyl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole
CID 161153492
1-tert-butyl-3-[(3-tert-butylcyclobutyl)methyl]cyclobutane
CID 59391818
3-tert-butylbicyclo[3.2.1]octane
CID 21352039
1,3-ditert-butylcyclohexane;sulfane
CID 159387743
3-tert-butylbicyclo[3.1.0]hexane;4-pentylphenol
CID 174328969
1,3-ditert-butyl-5-ethylcyclohexane
CID 123167626
1-tert-butyl-3-methylcyclobutane;ethane;propane
CID 143337581
16-tert-butyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydro-1H-cyclopenta[a]phenanthrene
CID 123410307

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-3-tert-butylbicyclo[3.1.0]hexane?
The IUPAC name of (1R,5S)-3-tert-butylbicyclo[3.1.0]hexane (CID 172509136) is (1R,5S)-3-tert-butylbicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,5S)-3-tert-butylbicyclo[3.1.0]hexane?
The canonical SMILES for (1R,5S)-3-tert-butylbicyclo[3.1.0]hexane is CC(C)(C)C1C[C@@H]2C[C@@H]2C1.
What is the InChIKey of (1R,5S)-3-tert-butylbicyclo[3.1.0]hexane?
The InChIKey is OXHLADAVQMJNLO-JVHMLUBASA-N. The full InChI is InChI=1S/C10H18/c1-10(2,3)9-5-7-4-8(7)6-9/h7-9H,4-6H2,1-3H3/t7-,8+,9?.
What are the key properties of (1R,5S)-3-tert-butylbicyclo[3.1.0]hexane?
(1R,5S)-3-tert-butylbicyclo[3.1.0]hexane has a molecular weight of 138.25 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-3-tert-butylbicyclo[3.1.0]hexane is sourced from PubChem (CID 172509136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).