(4S)-4-methoxy-2,4-dimethylhex-1-ene

C9H18O — CID 143164233

IUPAC(4S)-4-methoxy-2,4-dimethylhex-1-ene
SMILESC=C(C)C[C@](C)(CC)OC
InChIInChI=1S/C9H18O/c1-6-9(4,10-5)7-8(2)3/h2,6-7H2,1,3-5H3/t9-/m0/s1
InChIKeyOAMHJZUJSGYUPV-VIFPVBQESA-N
MW142.24 g/mol
LogP2.77
Rot. Bonds4

About (4S)-4-methoxy-2,4-dimethylhex-1-ene

(4S)-4-methoxy-2,4-dimethylhex-1-ene (PubChem CID 143164233) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (4S)-4-methoxy-2,4-dimethylhex-1-ene.

Molecular Properties

Compound Name(4S)-4-methoxy-2,4-dimethylhex-1-ene
PubChem CID143164233
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(4S)-4-methoxy-2,4-dimethylhex-1-ene
SMILESC=C(C)C[C@](C)(CC)OC
InChIInChI=1S/C9H18O/c1-6-9(4,10-5)7-8(2)3/h2,6-7H2,1,3-5H3/t9-/m0/s1
InChIKeyOAMHJZUJSGYUPV-VIFPVBQESA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.77
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)-4-methoxy-2,4-dimethylhex-1-ene?
The IUPAC name of (4S)-4-methoxy-2,4-dimethylhex-1-ene (CID 143164233) is (4S)-4-methoxy-2,4-dimethylhex-1-ene.
What is the SMILES notation for (4S)-4-methoxy-2,4-dimethylhex-1-ene?
The canonical SMILES for (4S)-4-methoxy-2,4-dimethylhex-1-ene is C=C(C)C[C@](C)(CC)OC.
What is the InChIKey of (4S)-4-methoxy-2,4-dimethylhex-1-ene?
The InChIKey is OAMHJZUJSGYUPV-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18O/c1-6-9(4,10-5)7-8(2)3/h2,6-7H2,1,3-5H3/t9-/m0/s1.
What are the key properties of (4S)-4-methoxy-2,4-dimethylhex-1-ene?
(4S)-4-methoxy-2,4-dimethylhex-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-2,4-dimethylhex-1-ene is sourced from PubChem (CID 143164233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).