2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol

C9H18O2 — CID 130832826

IUPAC2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol
SMILESC[C@@H]1OC[C@@H](CCO)C1(C)C
InChIInChI=1S/C9H18O2/c1-7-9(2,3)8(4-5-10)6-11-7/h7-8,10H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeySZXTVYTZHHOWFT-JGVFFNPUSA-N
MW158.24 g/mol
LogP1.43
Rot. Bonds2

About 2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol

2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol (PubChem CID 130832826) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol
PubChem CID130832826
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol
SMILESC[C@@H]1OC[C@@H](CCO)C1(C)C
InChIInChI=1S/C9H18O2/c1-7-9(2,3)8(4-5-10)6-11-7/h7-8,10H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeySZXTVYTZHHOWFT-JGVFFNPUSA-N
XLogP1.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol?
The IUPAC name of 2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol (CID 130832826) is 2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol.
What is the SMILES notation for 2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol?
The canonical SMILES for 2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol is C[C@@H]1OC[C@@H](CCO)C1(C)C.
What is the InChIKey of 2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol?
The InChIKey is SZXTVYTZHHOWFT-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H18O2/c1-7-9(2,3)8(4-5-10)6-11-7/h7-8,10H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of 2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol?
2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol has a molecular weight of 158.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,5S)-4,4,5-trimethyloxolan-3-yl]ethanol is sourced from PubChem (CID 130832826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).