(2-methylcyclopropyl)cyclooctane

C12H22 — CID 19768877

IUPAC(2-methylcyclopropyl)cyclooctane
SMILESCC1CC1C1CCCCCCC1
InChIInChI=1S/C12H22/c1-10-9-12(10)11-7-5-3-2-4-6-8-11/h10-12H,2-9H2,1H3
InChIKeyGXBDHPKZSFOWNT-UHFFFAOYSA-N
MW166.31 g/mol
LogP4.00
Rot. Bonds1

About (2-methylcyclopropyl)cyclooctane

(2-methylcyclopropyl)cyclooctane (PubChem CID 19768877) has the molecular formula C12H22 and a molecular weight of 166.31 g/mol. Its IUPAC name is (2-methylcyclopropyl)cyclooctane.

Molecular Properties

Compound Name(2-methylcyclopropyl)cyclooctane
PubChem CID19768877
Molecular FormulaC12H22
Molecular Weight166.31 g/mol
Exact Mass166.17
IUPAC Name(2-methylcyclopropyl)cyclooctane
SMILESCC1CC1C1CCCCCCC1
InChIInChI=1S/C12H22/c1-10-9-12(10)11-7-5-3-2-4-6-8-11/h10-12H,2-9H2,1H3
InChIKeyGXBDHPKZSFOWNT-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2,4-dimethylcyclohexyl)cyclononane
CID 163705330
(1R,2R,4S)-1-cyclopentyl-2,4-dimethylcyclopentane;trans-(1S,3S)-1,3-dimethylcyclopentane
CID 162245394
1-(4-cyclohexyl-2-methylcyclopentyl)-3-methylcyclononane
CID 58552161
1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane
CID 155058601
(1R,3S,3aS)-1,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 144941851
(1R,7aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 59207141
1-cyclobutyl-2-methylcyclohexane
CID 146763407
(1S,4aR,8aR)-1-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 6427449
(3aR)-1-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 134864690
(6R)-2-methylbicyclo[4.1.0]heptane
CID 143188107
(2S)-1-cyclopentyl-2-methylcyclopentane
CID 140885757
2-methylbicyclo[5.2.0]nonane
CID 90842882

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopropyl)cyclooctane?
The IUPAC name of (2-methylcyclopropyl)cyclooctane (CID 19768877) is (2-methylcyclopropyl)cyclooctane.
What is the SMILES notation for (2-methylcyclopropyl)cyclooctane?
The canonical SMILES for (2-methylcyclopropyl)cyclooctane is CC1CC1C1CCCCCCC1.
What is the InChIKey of (2-methylcyclopropyl)cyclooctane?
The InChIKey is GXBDHPKZSFOWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22/c1-10-9-12(10)11-7-5-3-2-4-6-8-11/h10-12H,2-9H2,1H3.
What are the key properties of (2-methylcyclopropyl)cyclooctane?
(2-methylcyclopropyl)cyclooctane has a molecular weight of 166.31 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-methylcyclopropyl)cyclooctane is sourced from PubChem (CID 19768877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).