2,7-dimethylspiro[3.4]octane

C10H18 — CID 142902956

IUPAC2,7-dimethylspiro[3.4]octane
SMILESCC1CCC2(C1)CC(C)C2
InChIInChI=1S/C10H18/c1-8-3-4-10(5-8)6-9(2)7-10/h8-9H,3-7H2,1-2H3
InChIKeyAWMIAONLISBLBX-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.22
Rot. Bonds

About 2,7-dimethylspiro[3.4]octane

2,7-dimethylspiro[3.4]octane (PubChem CID 142902956) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 2,7-dimethylspiro[3.4]octane.

Molecular Properties

Compound Name2,7-dimethylspiro[3.4]octane
PubChem CID142902956
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name2,7-dimethylspiro[3.4]octane
SMILESCC1CCC2(C1)CC(C)C2
InChIInChI=1S/C10H18/c1-8-3-4-10(5-8)6-9(2)7-10/h8-9H,3-7H2,1-2H3
InChIKeyAWMIAONLISBLBX-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
ethane;3-methylspiro[4.4]nonane
CID 168995417
(3R)-3-methylspiro[4.5]decane
CID 140778087
(7R)-7-methyl-2-propylspiro[3.4]octane
CID 167622159
3-iodo-8-methylspiro[4.4]nonane
CID 154690645
3,9-dimethylspiro[5.5]undecane
CID 20825106
2,6-dimethylspiro[3.3]heptane
CID 21304360
N-methyl-1-[(7R)-7-methylspiro[3.4]octan-2-yl]methanamine
CID 155332094
ethane;3-methyl-8-thiaspiro[4.5]decane
CID 144515809
3,8-dimethyl-8-azaspiro[4.5]decane
CID 22975666
ethane;6-methylspiro[2.5]octane
CID 142110397

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylspiro[3.4]octane?
The IUPAC name of 2,7-dimethylspiro[3.4]octane (CID 142902956) is 2,7-dimethylspiro[3.4]octane.
What is the SMILES notation for 2,7-dimethylspiro[3.4]octane?
The canonical SMILES for 2,7-dimethylspiro[3.4]octane is CC1CCC2(C1)CC(C)C2.
What is the InChIKey of 2,7-dimethylspiro[3.4]octane?
The InChIKey is AWMIAONLISBLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8-3-4-10(5-8)6-9(2)7-10/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,7-dimethylspiro[3.4]octane?
2,7-dimethylspiro[3.4]octane has a molecular weight of 138.25 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylspiro[3.4]octane is sourced from PubChem (CID 142902956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).