2-cyclohexyl-2-methylspiro[2.5]octane;ethane

C17H32 — CID 145105367

IUPAC2-cyclohexyl-2-methylspiro[2.5]octane;ethane
SMILESCC.CC1(C2CCCCC2)CC12CCCCC2
InChIInChI=1S/C15H26.C2H6/c1-14(13-8-4-2-5-9-13)12-15(14)10-6-3-7-11-15;1-2/h13H,2-12H2,1H3;1-2H3
InChIKeyQJQQUORDEVJNPO-UHFFFAOYSA-N
MW236.44 g/mol
LogP5.95
Rot. Bonds1

About 2-cyclohexyl-2-methylspiro[2.5]octane;ethane

2-cyclohexyl-2-methylspiro[2.5]octane;ethane (PubChem CID 145105367) has the molecular formula C17H32 and a molecular weight of 236.44 g/mol. Its IUPAC name is 2-cyclohexyl-2-methylspiro[2.5]octane;ethane.

Molecular Properties

Compound Name2-cyclohexyl-2-methylspiro[2.5]octane;ethane
PubChem CID145105367
Molecular FormulaC17H32
Molecular Weight236.44 g/mol
Exact Mass236.25
IUPAC Name2-cyclohexyl-2-methylspiro[2.5]octane;ethane
SMILESCC.CC1(C2CCCCC2)CC12CCCCC2
InChIInChI=1S/C15H26.C2H6/c1-14(13-8-4-2-5-9-13)12-15(14)10-6-3-7-11-15;1-2/h13H,2-12H2,1H3;1-2H3
InChIKeyQJQQUORDEVJNPO-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.44
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1-methylcyclopentyl)cyclohexane
CID 13217819
cyclopropane;hexakis(1,3-dimethylbicyclo[1.1.0]butane);1,1-dimethylcyclopropane;ethane;bis(1-methylbicyclo[1.1.0]butane)
CID 160943515
1,1-dimethylcyclononane
CID 59289773
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
7,7-difluoro-1-methylbicyclo[4.1.0]heptane
CID 14493670
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
1,1-di(cyclooctyl)cyclooctane
CID 23107007
8a-methyl-2,3,4,4a,5,6,7,8-octahydrochromene
CID 58800826
1,1,5-trimethylcycloundecane
CID 161434950
(4aR,8aS)-1,1,8a-trimethyl-2,3,4,4a,5,6,7,8-octahydroisoquinoline;hydrochloride
CID 67920234

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methylspiro[2.5]octane;ethane?
The IUPAC name of 2-cyclohexyl-2-methylspiro[2.5]octane;ethane (CID 145105367) is 2-cyclohexyl-2-methylspiro[2.5]octane;ethane.
What is the SMILES notation for 2-cyclohexyl-2-methylspiro[2.5]octane;ethane?
The canonical SMILES for 2-cyclohexyl-2-methylspiro[2.5]octane;ethane is CC.CC1(C2CCCCC2)CC12CCCCC2.
What is the InChIKey of 2-cyclohexyl-2-methylspiro[2.5]octane;ethane?
The InChIKey is QJQQUORDEVJNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26.C2H6/c1-14(13-8-4-2-5-9-13)12-15(14)10-6-3-7-11-15;1-2/h13H,2-12H2,1H3;1-2H3.
What are the key properties of 2-cyclohexyl-2-methylspiro[2.5]octane;ethane?
2-cyclohexyl-2-methylspiro[2.5]octane;ethane has a molecular weight of 236.44 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methylspiro[2.5]octane;ethane is sourced from PubChem (CID 145105367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).