spiro[3.3]heptan-3-ol

C7H12O — CID 71744109

IUPACspiro[3.3]heptan-3-ol
SMILESOC1CCC12CCC2
InChIInChI=1S/C7H12O/c8-6-2-5-7(6)3-1-4-7/h6,8H,1-5H2
InChIKeyUUSNBRGUEFLZNW-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.31
Rot. Bonds

About spiro[3.3]heptan-3-ol

spiro[3.3]heptan-3-ol (PubChem CID 71744109) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is spiro[3.3]heptan-3-ol.

Molecular Properties

Compound Namespiro[3.3]heptan-3-ol
PubChem CID71744109
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Namespiro[3.3]heptan-3-ol
SMILESOC1CCC12CCC2
InChIInChI=1S/C7H12O/c8-6-2-5-7(6)3-1-4-7/h6,8H,1-5H2
InChIKeyUUSNBRGUEFLZNW-UHFFFAOYSA-N
XLogP1.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Spiro[3.3]heptan-2-ylmethanol
CID 71777872
3-Cyclobutylcyclobutan-1-ol
CID 69030589
Spiro[3.3]heptan-2-ol
CID 70647795
Spiro(3.4)octan-2-ol
CID 80361025
3-Methoxyspiro(3.3)heptan-1-ol
CID 121552589
6,6-Difluorospiro[3.3]heptan-2-ol
CID 146082075
Dispiro[3.1.3^{6}.1^{4}]decan-2-ol
CID 155821061
Spiro[3.4]octan-1-OL
CID 71744112
{2-Fluorospiro[3.3]heptan-2-yl}methanol
CID 165671430
[3-(3-Fluoropropyl)-1-bicyclo[1.1.1]pentanyl]methanol
CID 137945296
6-Fluorospiro[3.3]heptan-2-OL
CID 155820172
6,6-Difluorospiro[3.3]heptan-1-ol
CID 175669927

Frequently Asked Questions

What is the IUPAC name of spiro[3.3]heptan-3-ol?
The IUPAC name of spiro[3.3]heptan-3-ol (CID 71744109) is spiro[3.3]heptan-3-ol.
What is the SMILES notation for spiro[3.3]heptan-3-ol?
The canonical SMILES for spiro[3.3]heptan-3-ol is OC1CCC12CCC2.
What is the InChIKey of spiro[3.3]heptan-3-ol?
The InChIKey is UUSNBRGUEFLZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c8-6-2-5-7(6)3-1-4-7/h6,8H,1-5H2.
What are the key properties of spiro[3.3]heptan-3-ol?
spiro[3.3]heptan-3-ol has a molecular weight of 112.17 g/mol, XLogP of 1.31, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3.3]heptan-3-ol is sourced from PubChem (CID 71744109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).