methane;spiro[3.3]heptane

C8H16 — CID 142516352

IUPACmethane;spiro[3.3]heptane
SMILESC.C1CC2(C1)CCC2
InChIInChI=1S/C7H12.CH4/c1-3-7(4-1)5-2-6-7;/h1-6H2;1H4
InChIKeyZIJUKFBOMUATKH-UHFFFAOYSA-N
MW112.22 g/mol
LogP2.98
Rot. Bonds

About methane;spiro[3.3]heptane

methane;spiro[3.3]heptane (PubChem CID 142516352) has the molecular formula C8H16 and a molecular weight of 112.22 g/mol. Its IUPAC name is methane;spiro[3.3]heptane.

Molecular Properties

Compound Namemethane;spiro[3.3]heptane
PubChem CID142516352
Molecular FormulaC8H16
Molecular Weight112.22 g/mol
Exact Mass112.13
IUPAC Namemethane;spiro[3.3]heptane
SMILESC.C1CC2(C1)CCC2
InChIInChI=1S/C7H12.CH4/c1-3-7(4-1)5-2-6-7;/h1-6H2;1H4
InChIKeyZIJUKFBOMUATKH-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.22
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

spiro[2.4]heptane;spiro[3.4]octane
CID 145351897
spiro[4.4]nonane
CID 90780660
methanol;spiro[3.3]heptane
CID 170155109
spiro[4.4]nonane;dihydrochloride
CID 172764572
dispiro[2.2.46.23]dodecane
CID 123747481
spiro[2.4]heptane
CID 12657448
propane;spiro[3.3]heptane
CID 176988732
spiro[2.7]decane
CID 12657449
tricyclo[3.2.2.11,5]decane
CID 11355506
spiro[2.6]nonane;hydrochloride
CID 141316852
7-iodospiro[3.5]nonane
CID 121454581
2-azaspiro[3.3]heptane
CID 20521856

Frequently Asked Questions

What is the IUPAC name of methane;spiro[3.3]heptane?
The IUPAC name of methane;spiro[3.3]heptane (CID 142516352) is methane;spiro[3.3]heptane.
What is the SMILES notation for methane;spiro[3.3]heptane?
The canonical SMILES for methane;spiro[3.3]heptane is C.C1CC2(C1)CCC2.
What is the InChIKey of methane;spiro[3.3]heptane?
The InChIKey is ZIJUKFBOMUATKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.CH4/c1-3-7(4-1)5-2-6-7;/h1-6H2;1H4.
What are the key properties of methane;spiro[3.3]heptane?
methane;spiro[3.3]heptane has a molecular weight of 112.22 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;spiro[3.3]heptane is sourced from PubChem (CID 142516352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).