2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]

C18H28 — CID 123849579

IUPAC2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]
SMILESCC1CCCC(C2C3CC3CC23CC2CC23)C1C
InChIInChI=1S/C18H28/c1-10-4-3-5-14(11(10)2)17-15-6-12(15)8-18(17)9-13-7-16(13)18/h10-17H,3-9H2,1-2H3
InChIKeySVPVIIRBHJYXFK-UHFFFAOYSA-N
MW244.42 g/mol
LogP4.74
Rot. Bonds1

About 2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]

2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane] (PubChem CID 123849579) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane].

Molecular Properties

Compound Name2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]
PubChem CID123849579
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]
SMILESCC1CCCC(C2C3CC3CC23CC2CC23)C1C
InChIInChI=1S/C18H28/c1-10-4-3-5-14(11(10)2)17-15-6-12(15)8-18(17)9-13-7-16(13)18/h10-17H,3-9H2,1-2H3
InChIKeySVPVIIRBHJYXFK-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane] with MolForge

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Related Compounds

(1R)-tetracyclo[4.2.0.01,7.03,5]octane
CID 148765284
(8S,9R,10R,12R)-tetracyclo[6.5.0.01,9.010,12]tridecane
CID 102285377
(1R,2S,6R,7S,8S)-8-methyltricyclo[5.2.1.02,6]decan-8-ol
CID 124836591
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
8-ethyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386822
pentakis(1-cyclopentyl-2-methylcyclopentane);methane
CID 162268906
bis(cis-(1R,3S)-1,2,3-trimethylcyclohexane);ethane;trans-(1R,3R)-1,2,3-trimethylcyclohexane;trans-(1S,3S)-1,2,3-trimethylcyclohexane
CID 159423261
cis-(1S,3R)-1,2,3-trimethylcyclohexane;ethane;methane
CID 142244795
cis-(1S,2R)-1-methyl-2-[(1R)-2-methylcyclopentyl]cyclopentane
CID 91373089
2,3-dimethyltricyclo[4.3.0.02,5]nonane
CID 90794908
1,2-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 565551
8-propyltricyclo[5.2.1.02,6]decan-8-ol
CID 13386823

Frequently Asked Questions

What is the IUPAC name of 2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]?
The IUPAC name of 2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane] (CID 123849579) is 2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane].
What is the SMILES notation for 2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]?
The canonical SMILES for 2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane] is CC1CCCC(C2C3CC3CC23CC2CC23)C1C.
What is the InChIKey of 2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]?
The InChIKey is SVPVIIRBHJYXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-10-4-3-5-14(11(10)2)17-15-6-12(15)8-18(17)9-13-7-16(13)18/h10-17H,3-9H2,1-2H3.
What are the key properties of 2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane]?
2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane] has a molecular weight of 244.42 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(2,3-dimethylcyclohexyl)spiro[bicyclo[2.1.0]pentane-2,3'-bicyclo[3.1.0]hexane] is sourced from PubChem (CID 123849579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).