(2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol

C17H32O3 — CID 67672084

IUPAC(2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol
SMILESCCCCCC(C)CCC(=C[C@@H]1OCCC[C@H]1O)OC
InChIInChI=1S/C17H32O3/c1-4-5-6-8-14(2)10-11-15(19-3)13-17-16(18)9-7-12-20-17/h13-14,16-18H,4-12H2,1-3H3/t14?,16-,17+/m1/s1
InChIKeyAZVJVRFTCWDBHK-XMKPYSNPSA-N
MW284.44 g/mol
LogP4.05
Rot. Bonds9

About (2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol

(2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol (PubChem CID 67672084) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is (2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol.

Molecular Properties

Compound Name(2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol
PubChem CID67672084
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name(2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol
SMILESCCCCCC(C)CCC(=C[C@@H]1OCCC[C@H]1O)OC
InChIInChI=1S/C17H32O3/c1-4-5-6-8-14(2)10-11-15(19-3)13-17-16(18)9-7-12-20-17/h13-14,16-18H,4-12H2,1-3H3/t14?,16-,17+/m1/s1
InChIKeyAZVJVRFTCWDBHK-XMKPYSNPSA-N
XLogP4.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol?
The IUPAC name of (2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol (CID 67672084) is (2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol.
What is the SMILES notation for (2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol?
The canonical SMILES for (2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol is CCCCCC(C)CCC(=C[C@@H]1OCCC[C@H]1O)OC.
What is the InChIKey of (2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol?
The InChIKey is AZVJVRFTCWDBHK-XMKPYSNPSA-N. The full InChI is InChI=1S/C17H32O3/c1-4-5-6-8-14(2)10-11-15(19-3)13-17-16(18)9-7-12-20-17/h13-14,16-18H,4-12H2,1-3H3/t14?,16-,17+/m1/s1.
What are the key properties of (2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol?
(2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol has a molecular weight of 284.44 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-(2-methoxy-5-methyldec-1-enyl)oxan-3-ol is sourced from PubChem (CID 67672084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).