2-spiro[4.5]decan-8-ylethanol

C12H22O — CID 126844404

IUPAC2-spiro[4.5]decan-8-ylethanol
SMILESOCCC1CCC2(CCCC2)CC1
InChIInChI=1S/C12H22O/c13-10-5-11-3-8-12(9-4-11)6-1-2-7-12/h11,13H,1-10H2
InChIKeyDCZHQMWHTMLJNO-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.12
Rot. Bonds2

About 2-spiro[4.5]decan-8-ylethanol

2-spiro[4.5]decan-8-ylethanol (PubChem CID 126844404) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-spiro[4.5]decan-8-ylethanol.

Molecular Properties

Compound Name2-spiro[4.5]decan-8-ylethanol
PubChem CID126844404
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2-spiro[4.5]decan-8-ylethanol
SMILESOCCC1CCC2(CCCC2)CC1
InChIInChI=1S/C12H22O/c13-10-5-11-3-8-12(9-4-11)6-1-2-7-12/h11,13H,1-10H2
InChIKeyDCZHQMWHTMLJNO-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[4.5]decan-8-ylethanol?
The IUPAC name of 2-spiro[4.5]decan-8-ylethanol (CID 126844404) is 2-spiro[4.5]decan-8-ylethanol.
What is the SMILES notation for 2-spiro[4.5]decan-8-ylethanol?
The canonical SMILES for 2-spiro[4.5]decan-8-ylethanol is OCCC1CCC2(CCCC2)CC1.
What is the InChIKey of 2-spiro[4.5]decan-8-ylethanol?
The InChIKey is DCZHQMWHTMLJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c13-10-5-11-3-8-12(9-4-11)6-1-2-7-12/h11,13H,1-10H2.
What are the key properties of 2-spiro[4.5]decan-8-ylethanol?
2-spiro[4.5]decan-8-ylethanol has a molecular weight of 182.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[4.5]decan-8-ylethanol is sourced from PubChem (CID 126844404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).