(4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene

C13H26O2 — CID 16743434

IUPAC(4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene
SMILESC=CC[C@H](C)[C@@H](CCCCC)OCOC
InChIInChI=1S/C13H26O2/c1-5-7-8-10-13(15-11-14-4)12(3)9-6-2/h6,12-13H,2,5,7-11H2,1,3-4H3/t12-,13+/m0/s1
InChIKeyIUTBZHVLDGGSFF-QWHCGFSZSA-N
MW214.35 g/mol
LogP3.77
Rot. Bonds10

About (4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene

(4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene (PubChem CID 16743434) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene.

Molecular Properties

Compound Name(4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene
PubChem CID16743434
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene
SMILESC=CC[C@H](C)[C@@H](CCCCC)OCOC
InChIInChI=1S/C13H26O2/c1-5-7-8-10-13(15-11-14-4)12(3)9-6-2/h6,12-13H,2,5,7-11H2,1,3-4H3/t12-,13+/m0/s1
InChIKeyIUTBZHVLDGGSFF-QWHCGFSZSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene?
The IUPAC name of (4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene (CID 16743434) is (4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene.
What is the SMILES notation for (4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene?
The canonical SMILES for (4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene is C=CC[C@H](C)[C@@H](CCCCC)OCOC.
What is the InChIKey of (4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene?
The InChIKey is IUTBZHVLDGGSFF-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-7-8-10-13(15-11-14-4)12(3)9-6-2/h6,12-13H,2,5,7-11H2,1,3-4H3/t12-,13+/m0/s1.
What are the key properties of (4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene?
(4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene has a molecular weight of 214.35 g/mol, XLogP of 3.77, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(methoxymethoxy)-4-methyldec-1-ene is sourced from PubChem (CID 16743434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).