(4S)-1-ethenoxy-4-methylhexane

C9H18O — CID 170848615

IUPAC(4S)-1-ethenoxy-4-methylhexane
SMILESC=COCCC[C@@H](C)CC
InChIInChI=1S/C9H18O/c1-4-9(3)7-6-8-10-5-2/h5,9H,2,4,6-8H2,1,3H3/t9-/m0/s1
InChIKeyDDVSITUIXPHASW-VIFPVBQESA-N
MW142.24 g/mol
LogP2.97
Rot. Bonds6

About (4S)-1-ethenoxy-4-methylhexane

(4S)-1-ethenoxy-4-methylhexane (PubChem CID 170848615) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (4S)-1-ethenoxy-4-methylhexane.

Molecular Properties

Compound Name(4S)-1-ethenoxy-4-methylhexane
PubChem CID170848615
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(4S)-1-ethenoxy-4-methylhexane
SMILESC=COCCC[C@@H](C)CC
InChIInChI=1S/C9H18O/c1-4-9(3)7-6-8-10-5-2/h5,9H,2,4,6-8H2,1,3H3/t9-/m0/s1
InChIKeyDDVSITUIXPHASW-VIFPVBQESA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (4S)-1-ethenoxy-4-methylhexane?
The IUPAC name of (4S)-1-ethenoxy-4-methylhexane (CID 170848615) is (4S)-1-ethenoxy-4-methylhexane.
What is the SMILES notation for (4S)-1-ethenoxy-4-methylhexane?
The canonical SMILES for (4S)-1-ethenoxy-4-methylhexane is C=COCCC[C@@H](C)CC.
What is the InChIKey of (4S)-1-ethenoxy-4-methylhexane?
The InChIKey is DDVSITUIXPHASW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18O/c1-4-9(3)7-6-8-10-5-2/h5,9H,2,4,6-8H2,1,3H3/t9-/m0/s1.
What are the key properties of (4S)-1-ethenoxy-4-methylhexane?
(4S)-1-ethenoxy-4-methylhexane has a molecular weight of 142.24 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethenoxy-4-methylhexane is sourced from PubChem (CID 170848615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).