ethane;6-methylspiro[2.5]octane

C11H22 — CID 142110397

IUPACethane;6-methylspiro[2.5]octane
SMILESCC.CC1CCC2(CC1)CC2
InChIInChI=1S/C9H16.C2H6/c1-8-2-4-9(5-3-8)6-7-9;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyFCTMFIOBCBWTCM-UHFFFAOYSA-N
MW154.30 g/mol
LogP4.00
Rot. Bonds

About ethane;6-methylspiro[2.5]octane

ethane;6-methylspiro[2.5]octane (PubChem CID 142110397) has the molecular formula C11H22 and a molecular weight of 154.30 g/mol. Its IUPAC name is ethane;6-methylspiro[2.5]octane.

Molecular Properties

Compound Nameethane;6-methylspiro[2.5]octane
PubChem CID142110397
Molecular FormulaC11H22
Molecular Weight154.30 g/mol
Exact Mass154.17
IUPAC Nameethane;6-methylspiro[2.5]octane
SMILESCC.CC1CCC2(CC1)CC2
InChIInChI=1S/C9H16.C2H6/c1-8-2-4-9(5-3-8)6-7-9;1-2/h8H,2-7H2,1H3;1-2H3
InChIKeyFCTMFIOBCBWTCM-UHFFFAOYSA-N
XLogP4.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.30
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,9-dimethylspiro[5.5]undecane
CID 20825106
3,9-dimethylspiro[5.5]undecane;methanamine
CID 176558454
3-methylspiro[5.6]dodecane
CID 143797283
3,11-dimethyldispiro[5.1.58.16]tetradecane
CID 18633626
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
N,9-dimethylspiro[5.5]undecan-3-amine
CID 164846415
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
ethane;3-methylspiro[4.4]nonane
CID 168995417
2,7-dimethylspiro[3.4]octane
CID 142902956
1-(9-methylspiro[5.5]undecan-3-yl)azetidine
CID 90712443
azane;1,1-difluoro-4-methylcyclohexane;hydrochloride
CID 126721446
1,1-difluoro-4-methylcyclohexane;methanamine
CID 144779644

Frequently Asked Questions

What is the IUPAC name of ethane;6-methylspiro[2.5]octane?
The IUPAC name of ethane;6-methylspiro[2.5]octane (CID 142110397) is ethane;6-methylspiro[2.5]octane.
What is the SMILES notation for ethane;6-methylspiro[2.5]octane?
The canonical SMILES for ethane;6-methylspiro[2.5]octane is CC.CC1CCC2(CC1)CC2.
What is the InChIKey of ethane;6-methylspiro[2.5]octane?
The InChIKey is FCTMFIOBCBWTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C2H6/c1-8-2-4-9(5-3-8)6-7-9;1-2/h8H,2-7H2,1H3;1-2H3.
What are the key properties of ethane;6-methylspiro[2.5]octane?
ethane;6-methylspiro[2.5]octane has a molecular weight of 154.30 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methylspiro[2.5]octane is sourced from PubChem (CID 142110397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).