(1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol

C11H22O2 — CID 15348637

IUPAC(1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol
SMILESCOCC[C@H]1C[C@H](C)[C@H](O)C1(C)C
InChIInChI=1S/C11H22O2/c1-8-7-9(5-6-13-4)11(2,3)10(8)12/h8-10,12H,5-7H2,1-4H3/t8-,9-,10-/m0/s1
InChIKeyVYMKRTPTVFYHQS-GUBZILKMSA-N
MW186.29 g/mol
LogP2.07
Rot. Bonds3

About (1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol

(1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol (PubChem CID 15348637) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol.

Molecular Properties

Compound Name(1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol
PubChem CID15348637
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol
SMILESCOCC[C@H]1C[C@H](C)[C@H](O)C1(C)C
InChIInChI=1S/C11H22O2/c1-8-7-9(5-6-13-4)11(2,3)10(8)12/h8-10,12H,5-7H2,1-4H3/t8-,9-,10-/m0/s1
InChIKeyVYMKRTPTVFYHQS-GUBZILKMSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol?
The IUPAC name of (1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol (CID 15348637) is (1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol.
What is the SMILES notation for (1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol?
The canonical SMILES for (1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol is COCC[C@H]1C[C@H](C)[C@H](O)C1(C)C.
What is the InChIKey of (1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol?
The InChIKey is VYMKRTPTVFYHQS-GUBZILKMSA-N. The full InChI is InChI=1S/C11H22O2/c1-8-7-9(5-6-13-4)11(2,3)10(8)12/h8-10,12H,5-7H2,1-4H3/t8-,9-,10-/m0/s1.
What are the key properties of (1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol?
(1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol has a molecular weight of 186.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5S)-3-(2-methoxyethyl)-2,2,5-trimethylcyclopentan-1-ol is sourced from PubChem (CID 15348637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).