(4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene

C11H22O2 — CID 15262315

IUPAC(4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene
SMILESC=CC[C@H](C)[C@H](CCC)OCOC
InChIInChI=1S/C11H22O2/c1-5-7-10(3)11(8-6-2)13-9-12-4/h5,10-11H,1,6-9H2,2-4H3/t10-,11-/m0/s1
InChIKeyFSGBOIWQQUCQJD-QWRGUYRKSA-N
MW186.29 g/mol
LogP2.99
Rot. Bonds8

About (4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene

(4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene (PubChem CID 15262315) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is (4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene.

Molecular Properties

Compound Name(4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene
PubChem CID15262315
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name(4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene
SMILESC=CC[C@H](C)[C@H](CCC)OCOC
InChIInChI=1S/C11H22O2/c1-5-7-10(3)11(8-6-2)13-9-12-4/h5,10-11H,1,6-9H2,2-4H3/t10-,11-/m0/s1
InChIKeyFSGBOIWQQUCQJD-QWRGUYRKSA-N
XLogP2.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.99
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'}

Analyze (4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene 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 (4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene?
The IUPAC name of (4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene (CID 15262315) is (4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene.
What is the SMILES notation for (4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene?
The canonical SMILES for (4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene is C=CC[C@H](C)[C@H](CCC)OCOC.
What is the InChIKey of (4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene?
The InChIKey is FSGBOIWQQUCQJD-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-7-10(3)11(8-6-2)13-9-12-4/h5,10-11H,1,6-9H2,2-4H3/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene?
(4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene has a molecular weight of 186.29 g/mol, XLogP of 2.99, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-5-(methoxymethoxy)-4-methyloct-1-ene is sourced from PubChem (CID 15262315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).