2,6-dimethylspiro[3.3]heptane

C9H16 — CID 21304360

IUPAC2,6-dimethylspiro[3.3]heptane
SMILESCC1CC2(C1)CC(C)C2
InChIInChI=1S/C9H16/c1-7-3-9(4-7)5-8(2)6-9/h7-8H,3-6H2,1-2H3
InChIKeyXSMNCVPNJTZYQT-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.83
Rot. Bonds

About 2,6-dimethylspiro[3.3]heptane

2,6-dimethylspiro[3.3]heptane (PubChem CID 21304360) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 2,6-dimethylspiro[3.3]heptane.

Molecular Properties

Compound Name2,6-dimethylspiro[3.3]heptane
PubChem CID21304360
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name2,6-dimethylspiro[3.3]heptane
SMILESCC1CC2(C1)CC(C)C2
InChIInChI=1S/C9H16/c1-7-3-9(4-7)5-8(2)6-9/h7-8H,3-6H2,1-2H3
InChIKeyXSMNCVPNJTZYQT-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2-methyl-7-oxaspiro[3.5]nonane
CID 144747152
2,7-dimethylspiro[3.4]octane
CID 142902956
ethane;6-methyl-2-oxaspiro[3.3]heptane
CID 144747206
ethane;2-methylspiro[3.5]nonane
CID 164868147
6-methylspiro[3.3]heptane-2-carboxamide
CID 90369734
6-methyl-2-[(4-methylcyclohexyl)methyl]spiro[3.3]heptane
CID 167617145
(3R,8R)-3,8-dimethylspiro[4.4]nonane
CID 171400850
1,1,3-trimethylcyclobutane
CID 12656861
2,2,4,4,8,10,10-heptamethylspiro[5.5]undecane
CID 59482332
3,8-dimethylspiro[4.4]nonane;ethane
CID 178108265
acetaldehyde;2-methyl-6-oxaspiro[3.4]octane
CID 153364433
1,3-dimethylcyclobutane;2,6-dimethylspiro[3.3]heptane;methane;methoxymethane;methyl acetate
CID 159854262

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylspiro[3.3]heptane?
The IUPAC name of 2,6-dimethylspiro[3.3]heptane (CID 21304360) is 2,6-dimethylspiro[3.3]heptane.
What is the SMILES notation for 2,6-dimethylspiro[3.3]heptane?
The canonical SMILES for 2,6-dimethylspiro[3.3]heptane is CC1CC2(C1)CC(C)C2.
What is the InChIKey of 2,6-dimethylspiro[3.3]heptane?
The InChIKey is XSMNCVPNJTZYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-7-3-9(4-7)5-8(2)6-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,6-dimethylspiro[3.3]heptane?
2,6-dimethylspiro[3.3]heptane has a molecular weight of 124.23 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylspiro[3.3]heptane is sourced from PubChem (CID 21304360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).