2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol

C10H18O2 — CID 143499185

IUPAC2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol
SMILESCCC1(C)C(CO)C12CCC2O
InChIInChI=1S/C10H18O2/c1-3-9(2)7(6-11)10(9)5-4-8(10)12/h7-8,11-12H,3-6H2,1-2H3
InChIKeyNFWUUSRCVJAXBN-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.17
Rot. Bonds2

About 2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol

2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol (PubChem CID 143499185) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol.

Molecular Properties

Compound Name2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol
PubChem CID143499185
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol
SMILESCCC1(C)C(CO)C12CCC2O
InChIInChI=1S/C10H18O2/c1-3-9(2)7(6-11)10(9)5-4-8(10)12/h7-8,11-12H,3-6H2,1-2H3
InChIKeyNFWUUSRCVJAXBN-UHFFFAOYSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol?
The IUPAC name of 2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol (CID 143499185) is 2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol.
What is the SMILES notation for 2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol?
The canonical SMILES for 2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol is CCC1(C)C(CO)C12CCC2O.
What is the InChIKey of 2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol?
The InChIKey is NFWUUSRCVJAXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-9(2)7(6-11)10(9)5-4-8(10)12/h7-8,11-12H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol?
2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol has a molecular weight of 170.25 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(hydroxymethyl)-2-methylspiro[2.3]hexan-6-ol is sourced from PubChem (CID 143499185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).