(4S,5S)-4-methoxy-5-methylnon-1-ene

C11H22O — CID 57218264

IUPAC(4S,5S)-4-methoxy-5-methylnon-1-ene
SMILESC=CC[C@H](OC)[C@@H](C)CCCC
InChIInChI=1S/C11H22O/c1-5-7-9-10(3)11(12-4)8-6-2/h6,10-11H,2,5,7-9H2,1,3-4H3/t10-,11-/m0/s1
InChIKeyKELZEBVDUDNZLC-QWRGUYRKSA-N
MW170.30 g/mol
LogP3.40
Rot. Bonds7

About (4S,5S)-4-methoxy-5-methylnon-1-ene

(4S,5S)-4-methoxy-5-methylnon-1-ene (PubChem CID 57218264) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (4S,5S)-4-methoxy-5-methylnon-1-ene.

Molecular Properties

Compound Name(4S,5S)-4-methoxy-5-methylnon-1-ene
PubChem CID57218264
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(4S,5S)-4-methoxy-5-methylnon-1-ene
SMILESC=CC[C@H](OC)[C@@H](C)CCCC
InChIInChI=1S/C11H22O/c1-5-7-9-10(3)11(12-4)8-6-2/h6,10-11H,2,5,7-9H2,1,3-4H3/t10-,11-/m0/s1
InChIKeyKELZEBVDUDNZLC-QWRGUYRKSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-methoxy-5-methylnon-1-ene?
The IUPAC name of (4S,5S)-4-methoxy-5-methylnon-1-ene (CID 57218264) is (4S,5S)-4-methoxy-5-methylnon-1-ene.
What is the SMILES notation for (4S,5S)-4-methoxy-5-methylnon-1-ene?
The canonical SMILES for (4S,5S)-4-methoxy-5-methylnon-1-ene is C=CC[C@H](OC)[C@@H](C)CCCC.
What is the InChIKey of (4S,5S)-4-methoxy-5-methylnon-1-ene?
The InChIKey is KELZEBVDUDNZLC-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H22O/c1-5-7-9-10(3)11(12-4)8-6-2/h6,10-11H,2,5,7-9H2,1,3-4H3/t10-,11-/m0/s1.
What are the key properties of (4S,5S)-4-methoxy-5-methylnon-1-ene?
(4S,5S)-4-methoxy-5-methylnon-1-ene has a molecular weight of 170.30 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-methoxy-5-methylnon-1-ene is sourced from PubChem (CID 57218264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).