2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane]

C13H22 — CID 90914786

IUPAC2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane]
SMILESCCC1CCCCC12CC1CC1C2
InChIInChI=1S/C13H22/c1-2-12-5-3-4-6-13(12)8-10-7-11(10)9-13/h10-12H,2-9H2,1H3
InChIKeyVNTUZVWWUZYMRT-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.00
Rot. Bonds1

About 2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane]

2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane] (PubChem CID 90914786) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane].

Molecular Properties

Compound Name2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane]
PubChem CID90914786
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane]
SMILESCCC1CCCCC12CC1CC1C2
InChIInChI=1S/C13H22/c1-2-12-5-3-4-6-13(12)8-10-7-11(10)9-13/h10-12H,2-9H2,1H3
InChIKeyVNTUZVWWUZYMRT-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane] with MolForge

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Related Compounds

(2R)-2-ethylspiro[2.4]heptane
CID 147630807
9-ethyl-6-azaspiro[3.5]nonane
CID 168959598
(8S)-spiro[2.5]octan-8-amine
CID 89147381
(8R)-spiro[2.5]octan-8-amine
CID 89147380
trans-(1R,2S)-1,2-diethylcyclohexan-1-ol
CID 86308413
2-ethyl-1-sulfanylcyclohexan-1-ol
CID 20564659
1,2-diethylbicyclo[4.4.1]undecane
CID 91239883
1,2-diethylcycloheptane-1-thiol
CID 19850360
N-methyl-1-spiro[4.5]decan-10-ylmethanamine
CID 83906628
2-ethyl-6-propan-2-ylspiro[2.4]heptane
CID 123260811
1,2-diethylcyclohexane-1-carbaldehyde
CID 138734421
2-spiro[2.5]octan-8-ylacetaldehyde
CID 155822522

Frequently Asked Questions

What is the IUPAC name of 2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane]?
The IUPAC name of 2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane] (CID 90914786) is 2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane].
What is the SMILES notation for 2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane]?
The canonical SMILES for 2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane] is CCC1CCCCC12CC1CC1C2.
What is the InChIKey of 2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane]?
The InChIKey is VNTUZVWWUZYMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-2-12-5-3-4-6-13(12)8-10-7-11(10)9-13/h10-12H,2-9H2,1H3.
What are the key properties of 2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane]?
2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane] has a molecular weight of 178.32 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-ethylspiro[bicyclo[3.1.0]hexane-3,1'-cyclohexane] is sourced from PubChem (CID 90914786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).