3-methylspiro[5.6]dodecane

C13H24 — CID 143797283

IUPAC3-methylspiro[5.6]dodecane
SMILESCC1CCC2(CCCCCC2)CC1
InChIInChI=1S/C13H24/c1-12-6-10-13(11-7-12)8-4-2-3-5-9-13/h12H,2-11H2,1H3
InChIKeyXZSFJMLGAHNXFQ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.54
Rot. Bonds

About 3-methylspiro[5.6]dodecane

3-methylspiro[5.6]dodecane (PubChem CID 143797283) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 3-methylspiro[5.6]dodecane.

Molecular Properties

Compound Name3-methylspiro[5.6]dodecane
PubChem CID143797283
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name3-methylspiro[5.6]dodecane
SMILESCC1CCC2(CCCCCC2)CC1
InChIInChI=1S/C13H24/c1-12-6-10-13(11-7-12)8-4-2-3-5-9-13/h12H,2-11H2,1H3
InChIKeyXZSFJMLGAHNXFQ-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,9-dimethylspiro[5.5]undecane
CID 20825106
(3R)-3-methylspiro[4.5]decane
CID 140778087
3,9-dimethylspiro[5.5]undecane;methanamine
CID 176558454
ethane;6-methylspiro[2.5]octane
CID 142110397
ethane;3-methylspiro[4.4]nonane
CID 168995417
3,11-dimethyldispiro[5.1.58.16]tetradecane
CID 18633626
12-tert-butyldispiro[5.2.59.26]hexadecane
CID 140778143
11-deuterio-11-methyldispiro[4.2.58.25]pentadecane
CID 157178065
N,9-dimethylspiro[5.5]undecan-3-amine
CID 164846415
1,1,4-trimethylcyclononane
CID 71397842
1-(9-methylspiro[5.5]undecan-3-yl)azetidine
CID 90712443
spiro[5.6]dodecan-3-amine
CID 56639662

Frequently Asked Questions

What is the IUPAC name of 3-methylspiro[5.6]dodecane?
The IUPAC name of 3-methylspiro[5.6]dodecane (CID 143797283) is 3-methylspiro[5.6]dodecane.
What is the SMILES notation for 3-methylspiro[5.6]dodecane?
The canonical SMILES for 3-methylspiro[5.6]dodecane is CC1CCC2(CCCCCC2)CC1.
What is the InChIKey of 3-methylspiro[5.6]dodecane?
The InChIKey is XZSFJMLGAHNXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-12-6-10-13(11-7-12)8-4-2-3-5-9-13/h12H,2-11H2,1H3.
What are the key properties of 3-methylspiro[5.6]dodecane?
3-methylspiro[5.6]dodecane has a molecular weight of 180.33 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylspiro[5.6]dodecane is sourced from PubChem (CID 143797283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).