(2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol

C12H22O3 — CID 170700246

IUPAC(2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol
SMILESCOC1(OC)CC2(CCC(CO)CC2)C1
InChIInChI=1S/C12H22O3/c1-14-12(15-2)8-11(9-12)5-3-10(7-13)4-6-11/h10,13H,3-9H2,1-2H3
InChIKeySMSFEUJGLQFJEY-UHFFFAOYSA-N
MW214.30 g/mol
LogP1.94
Rot. Bonds3

About (2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol

(2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol (PubChem CID 170700246) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is (2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol
PubChem CID170700246
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name(2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol
SMILESCOC1(OC)CC2(CCC(CO)CC2)C1
InChIInChI=1S/C12H22O3/c1-14-12(15-2)8-11(9-12)5-3-10(7-13)4-6-11/h10,13H,3-9H2,1-2H3
InChIKeySMSFEUJGLQFJEY-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 51.94
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[3.5]nonan-7-yl)methanol?
The IUPAC name of (2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol (CID 170700246) is (2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol.
What is the SMILES notation for (2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol?
The canonical SMILES for (2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol is COC1(OC)CC2(CCC(CO)CC2)C1.
What is the InChIKey of (2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol?
The InChIKey is SMSFEUJGLQFJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-14-12(15-2)8-11(9-12)5-3-10(7-13)4-6-11/h10,13H,3-9H2,1-2H3.
What are the key properties of (2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol?
(2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol has a molecular weight of 214.30 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethoxyspiro[3.5]nonan-7-yl)methanol is sourced from PubChem (CID 170700246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).