(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene

C9H18O — CID 15306452

IUPAC(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene
SMILESC=C[C@H](C)[C@@H](OC)C(C)C
InChIInChI=1S/C9H18O/c1-6-8(4)9(10-5)7(2)3/h6-9H,1H2,2-5H3/t8-,9-/m0/s1
InChIKeyOLUYHYONFRCZMU-IUCAKERBSA-N
MW142.24 g/mol
LogP2.48
Rot. Bonds4

About (3S,4S)-4-methoxy-3,5-dimethylhex-1-ene

(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene (PubChem CID 15306452) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3S,4S)-4-methoxy-3,5-dimethylhex-1-ene.

Molecular Properties

Compound Name(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene
PubChem CID15306452
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene
SMILESC=C[C@H](C)[C@@H](OC)C(C)C
InChIInChI=1S/C9H18O/c1-6-8(4)9(10-5)7(2)3/h6-9H,1H2,2-5H3/t8-,9-/m0/s1
InChIKeyOLUYHYONFRCZMU-IUCAKERBSA-N
XLogP2.48
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 ≤ 52.48
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 (3S,4S)-4-methoxy-3,5-dimethylhex-1-ene?
The IUPAC name of (3S,4S)-4-methoxy-3,5-dimethylhex-1-ene (CID 15306452) is (3S,4S)-4-methoxy-3,5-dimethylhex-1-ene.
What is the SMILES notation for (3S,4S)-4-methoxy-3,5-dimethylhex-1-ene?
The canonical SMILES for (3S,4S)-4-methoxy-3,5-dimethylhex-1-ene is C=C[C@H](C)[C@@H](OC)C(C)C.
What is the InChIKey of (3S,4S)-4-methoxy-3,5-dimethylhex-1-ene?
The InChIKey is OLUYHYONFRCZMU-IUCAKERBSA-N. The full InChI is InChI=1S/C9H18O/c1-6-8(4)9(10-5)7(2)3/h6-9H,1H2,2-5H3/t8-,9-/m0/s1.
What are the key properties of (3S,4S)-4-methoxy-3,5-dimethylhex-1-ene?
(3S,4S)-4-methoxy-3,5-dimethylhex-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methoxy-3,5-dimethylhex-1-ene is sourced from PubChem (CID 15306452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).