(4S)-4-methoxy-4-methylocta-1,7-diene

C10H18O — CID 59910982

IUPAC(4S)-4-methoxy-4-methylocta-1,7-diene
SMILESC=CCC[C@@](C)(CC=C)OC
InChIInChI=1S/C10H18O/c1-5-7-9-10(3,11-4)8-6-2/h5-6H,1-2,7-9H2,3-4H3/t10-/m1/s1
InChIKeyQLZSIAQEYLIPEC-SNVBAGLBSA-N
MW154.25 g/mol
LogP2.93
Rot. Bonds6

About (4S)-4-methoxy-4-methylocta-1,7-diene

(4S)-4-methoxy-4-methylocta-1,7-diene (PubChem CID 59910982) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (4S)-4-methoxy-4-methylocta-1,7-diene.

Molecular Properties

Compound Name(4S)-4-methoxy-4-methylocta-1,7-diene
PubChem CID59910982
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(4S)-4-methoxy-4-methylocta-1,7-diene
SMILESC=CCC[C@@](C)(CC=C)OC
InChIInChI=1S/C10H18O/c1-5-7-9-10(3,11-4)8-6-2/h5-6H,1-2,7-9H2,3-4H3/t10-/m1/s1
InChIKeyQLZSIAQEYLIPEC-SNVBAGLBSA-N
XLogP2.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.93
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-4-methylocta-1,7-diene?
The IUPAC name of (4S)-4-methoxy-4-methylocta-1,7-diene (CID 59910982) is (4S)-4-methoxy-4-methylocta-1,7-diene.
What is the SMILES notation for (4S)-4-methoxy-4-methylocta-1,7-diene?
The canonical SMILES for (4S)-4-methoxy-4-methylocta-1,7-diene is C=CCC[C@@](C)(CC=C)OC.
What is the InChIKey of (4S)-4-methoxy-4-methylocta-1,7-diene?
The InChIKey is QLZSIAQEYLIPEC-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18O/c1-5-7-9-10(3,11-4)8-6-2/h5-6H,1-2,7-9H2,3-4H3/t10-/m1/s1.
What are the key properties of (4S)-4-methoxy-4-methylocta-1,7-diene?
(4S)-4-methoxy-4-methylocta-1,7-diene has a molecular weight of 154.25 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-4-methylocta-1,7-diene is sourced from PubChem (CID 59910982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).