[(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol

C13H26O3 — CID 126614766

IUPAC[(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol
SMILESCCCCC(CC)CO[C@@H]1CO[C@H](CO)C1
InChIInChI=1S/C13H26O3/c1-3-5-6-11(4-2)9-15-13-7-12(8-14)16-10-13/h11-14H,3-10H2,1-2H3/t11?,12-,13-/m0/s1
InChIKeyXZMNFVJFMOOXHY-SPOOISQMSA-N
MW230.35 g/mol
LogP2.37
Rot. Bonds8

About [(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol

[(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol (PubChem CID 126614766) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is [(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol
PubChem CID126614766
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name[(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol
SMILESCCCCC(CC)CO[C@@H]1CO[C@H](CO)C1
InChIInChI=1S/C13H26O3/c1-3-5-6-11(4-2)9-15-13-7-12(8-14)16-10-13/h11-14H,3-10H2,1-2H3/t11?,12-,13-/m0/s1
InChIKeyXZMNFVJFMOOXHY-SPOOISQMSA-N
XLogP2.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol?
The IUPAC name of [(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol (CID 126614766) is [(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol?
The canonical SMILES for [(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol is CCCCC(CC)CO[C@@H]1CO[C@H](CO)C1.
What is the InChIKey of [(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol?
The InChIKey is XZMNFVJFMOOXHY-SPOOISQMSA-N. The full InChI is InChI=1S/C13H26O3/c1-3-5-6-11(4-2)9-15-13-7-12(8-14)16-10-13/h11-14H,3-10H2,1-2H3/t11?,12-,13-/m0/s1.
What are the key properties of [(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol?
[(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol has a molecular weight of 230.35 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-(2-ethylhexoxy)oxolan-2-yl]methanol is sourced from PubChem (CID 126614766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).