(5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane

C16H32O2 — CID 11097203

IUPAC(5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane
SMILESCCCC[C@H](OCOC)[C@@H](C=C(C)C)CCCC
InChIInChI=1S/C16H32O2/c1-6-8-10-15(12-14(3)4)16(11-9-7-2)18-13-17-5/h12,15-16H,6-11,13H2,1-5H3/t15-,16+/m1/s1
InChIKeyLYZZMSJDELHLQG-CVEARBPZSA-N
MW256.43 g/mol
LogP4.94
Rot. Bonds11

About (5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane

(5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane (PubChem CID 11097203) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is (5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane.

Molecular Properties

Compound Name(5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane
PubChem CID11097203
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Name(5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane
SMILESCCCC[C@H](OCOC)[C@@H](C=C(C)C)CCCC
InChIInChI=1S/C16H32O2/c1-6-8-10-15(12-14(3)4)16(11-9-7-2)18-13-17-5/h12,15-16H,6-11,13H2,1-5H3/t15-,16+/m1/s1
InChIKeyLYZZMSJDELHLQG-CVEARBPZSA-N
XLogP4.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane?
The IUPAC name of (5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane (CID 11097203) is (5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane.
What is the SMILES notation for (5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane?
The canonical SMILES for (5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane is CCCC[C@H](OCOC)[C@@H](C=C(C)C)CCCC.
What is the InChIKey of (5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane?
The InChIKey is LYZZMSJDELHLQG-CVEARBPZSA-N. The full InChI is InChI=1S/C16H32O2/c1-6-8-10-15(12-14(3)4)16(11-9-7-2)18-13-17-5/h12,15-16H,6-11,13H2,1-5H3/t15-,16+/m1/s1.
What are the key properties of (5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane?
(5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane has a molecular weight of 256.43 g/mol, XLogP of 4.94, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R)-5-(methoxymethoxy)-6-(2-methylprop-1-enyl)decane is sourced from PubChem (CID 11097203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).