methanol;spiro[3.3]heptane

C8H16O — CID 170155109

IUPACmethanol;spiro[3.3]heptane
SMILESC1CC2(C1)CCC2.CO
InChIInChI=1S/C7H12.CH4O/c1-3-7(4-1)5-2-6-7;1-2/h1-6H2;2H,1H3
InChIKeyJACVYMUYLFNMGK-UHFFFAOYSA-N
MW128.22 g/mol
LogP1.95
Rot. Bonds

About methanol;spiro[3.3]heptane

methanol;spiro[3.3]heptane (PubChem CID 170155109) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is methanol;spiro[3.3]heptane.

Molecular Properties

Compound Namemethanol;spiro[3.3]heptane
PubChem CID170155109
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Namemethanol;spiro[3.3]heptane
SMILESC1CC2(C1)CCC2.CO
InChIInChI=1S/C7H12.CH4O/c1-3-7(4-1)5-2-6-7;1-2/h1-6H2;2H,1H3
InChIKeyJACVYMUYLFNMGK-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methanol;spiro[3.3]heptane?
The IUPAC name of methanol;spiro[3.3]heptane (CID 170155109) is methanol;spiro[3.3]heptane.
What is the SMILES notation for methanol;spiro[3.3]heptane?
The canonical SMILES for methanol;spiro[3.3]heptane is C1CC2(C1)CCC2.CO.
What is the InChIKey of methanol;spiro[3.3]heptane?
The InChIKey is JACVYMUYLFNMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.CH4O/c1-3-7(4-1)5-2-6-7;1-2/h1-6H2;2H,1H3.
What are the key properties of methanol;spiro[3.3]heptane?
methanol;spiro[3.3]heptane has a molecular weight of 128.22 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;spiro[3.3]heptane is sourced from PubChem (CID 170155109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).