[(8S)-8-ethylspiro[2.5]octan-6-yl]methanol

C11H20O — CID 176672026

IUPAC[(8S)-8-ethylspiro[2.5]octan-6-yl]methanol
SMILESCC[C@H]1CC(CO)CCC12CC2
InChIInChI=1S/C11H20O/c1-2-10-7-9(8-12)3-4-11(10)5-6-11/h9-10,12H,2-8H2,1H3/t9?,10-/m0/s1
InChIKeyZFUAMSKXZUHQGX-AXDSSHIGSA-N
MW168.28 g/mol
LogP2.59
Rot. Bonds2

About [(8S)-8-ethylspiro[2.5]octan-6-yl]methanol

[(8S)-8-ethylspiro[2.5]octan-6-yl]methanol (PubChem CID 176672026) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is [(8S)-8-ethylspiro[2.5]octan-6-yl]methanol.

Molecular Properties

Compound Name[(8S)-8-ethylspiro[2.5]octan-6-yl]methanol
PubChem CID176672026
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name[(8S)-8-ethylspiro[2.5]octan-6-yl]methanol
SMILESCC[C@H]1CC(CO)CCC12CC2
InChIInChI=1S/C11H20O/c1-2-10-7-9(8-12)3-4-11(10)5-6-11/h9-10,12H,2-8H2,1H3/t9?,10-/m0/s1
InChIKeyZFUAMSKXZUHQGX-AXDSSHIGSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(8S)-8-ethylspiro[2.5]octan-6-yl]methanol?
The IUPAC name of [(8S)-8-ethylspiro[2.5]octan-6-yl]methanol (CID 176672026) is [(8S)-8-ethylspiro[2.5]octan-6-yl]methanol.
What is the SMILES notation for [(8S)-8-ethylspiro[2.5]octan-6-yl]methanol?
The canonical SMILES for [(8S)-8-ethylspiro[2.5]octan-6-yl]methanol is CC[C@H]1CC(CO)CCC12CC2.
What is the InChIKey of [(8S)-8-ethylspiro[2.5]octan-6-yl]methanol?
The InChIKey is ZFUAMSKXZUHQGX-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20O/c1-2-10-7-9(8-12)3-4-11(10)5-6-11/h9-10,12H,2-8H2,1H3/t9?,10-/m0/s1.
What are the key properties of [(8S)-8-ethylspiro[2.5]octan-6-yl]methanol?
[(8S)-8-ethylspiro[2.5]octan-6-yl]methanol has a molecular weight of 168.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(8S)-8-ethylspiro[2.5]octan-6-yl]methanol is sourced from PubChem (CID 176672026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).