(2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol

C10H18O3 — CID 171105306

IUPAC(2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol
SMILESCOC1(OC)CC2(CC(CO)C2)C1
InChIInChI=1S/C10H18O3/c1-12-10(13-2)6-9(7-10)3-8(4-9)5-11/h8,11H,3-7H2,1-2H3
InChIKeyGXGPMYMBYDJGKT-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.16
Rot. Bonds3

About (2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol

(2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol (PubChem CID 171105306) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol
PubChem CID171105306
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol
SMILESCOC1(OC)CC2(CC(CO)C2)C1
InChIInChI=1S/C10H18O3/c1-12-10(13-2)6-9(7-10)3-8(4-9)5-11/h8,11H,3-7H2,1-2H3
InChIKeyGXGPMYMBYDJGKT-UHFFFAOYSA-N
XLogP1.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol?
The IUPAC name of (2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol (CID 171105306) is (2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol.
What is the SMILES notation for (2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol?
The canonical SMILES for (2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol is COC1(OC)CC2(CC(CO)C2)C1.
What is the InChIKey of (2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol?
The InChIKey is GXGPMYMBYDJGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-12-10(13-2)6-9(7-10)3-8(4-9)5-11/h8,11H,3-7H2,1-2H3.
What are the key properties of (2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol?
(2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol has a molecular weight of 186.25 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethoxyspiro[3.3]heptan-6-yl)methanol is sourced from PubChem (CID 171105306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).