[(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol

C15H28O3 — CID 10848699

IUPAC[(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol
SMILESC=CCCCCCCCO[C@H]1CCCO[C@@H]1CO
InChIInChI=1S/C15H28O3/c1-2-3-4-5-6-7-8-11-17-14-10-9-12-18-15(14)13-16/h2,14-16H,1,3-13H2/t14-,15+/m0/s1
InChIKeyBTHMPGSHVRYPDN-LSDHHAIUSA-N
MW256.39 g/mol
LogP3.07
Rot. Bonds10

About [(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol

[(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol (PubChem CID 10848699) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is [(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol
PubChem CID10848699
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name[(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol
SMILESC=CCCCCCCCO[C@H]1CCCO[C@@H]1CO
InChIInChI=1S/C15H28O3/c1-2-3-4-5-6-7-8-11-17-14-10-9-12-18-15(14)13-16/h2,14-16H,1,3-13H2/t14-,15+/m0/s1
InChIKeyBTHMPGSHVRYPDN-LSDHHAIUSA-N
XLogP3.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol?
The IUPAC name of [(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol (CID 10848699) is [(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol.
What is the SMILES notation for [(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol?
The canonical SMILES for [(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol is C=CCCCCCCCO[C@H]1CCCO[C@@H]1CO.
What is the InChIKey of [(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol?
The InChIKey is BTHMPGSHVRYPDN-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H28O3/c1-2-3-4-5-6-7-8-11-17-14-10-9-12-18-15(14)13-16/h2,14-16H,1,3-13H2/t14-,15+/m0/s1.
What are the key properties of [(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol?
[(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol has a molecular weight of 256.39 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-non-8-enoxyoxan-2-yl]methanol is sourced from PubChem (CID 10848699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).