(3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene

C9H18O — CID 59871859

IUPAC(3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene
SMILESC=C[C@H](C)[C@H](C)COCC
InChIInChI=1S/C9H18O/c1-5-8(3)9(4)7-10-6-2/h5,8-9H,1,6-7H2,2-4H3/t8-,9+/m0/s1
InChIKeyXZZOKQPCBDENHF-DTWKUNHWSA-N
MW142.24 g/mol
LogP2.48
Rot. Bonds5

About (3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene

(3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene (PubChem CID 59871859) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene.

Molecular Properties

Compound Name(3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene
PubChem CID59871859
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene
SMILESC=C[C@H](C)[C@H](C)COCC
InChIInChI=1S/C9H18O/c1-5-8(3)9(4)7-10-6-2/h5,8-9H,1,6-7H2,2-4H3/t8-,9+/m0/s1
InChIKeyXZZOKQPCBDENHF-DTWKUNHWSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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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Related Compounds

5-Butoxy-1-pentene
CID 534792
Ethyl vinyl ethyl vinyl ether
CID 129675066
Diallylethylether
CID 129722376
4-Fluoro-5-(2-methylpropoxy)-4-(2-methylpropoxymethyl)pent-1-ene
CID 176894747
4-(Methoxymethyl)undeca-1,5,6,10-tetraene
CID 12715944
(3S,4S)-3,4-dimethyl-5-[(2-methylpropan-2-yl)oxy]pent-1-ene
CID 14979453
4-(Butoxymethyl)octa-1,5,6-triene
CID 134982431
cis-(4-Methyl-1-pentenyl) ethyl ether
CID 5462938
1-Ethoxy-4-methylpent-1-ene
CID 140159
5-[(2-Methylpropan-2-yl)oxy]pent-1-ene
CID 12402598
3,4-Bis(ethenyl)oxolane
CID 12646752
3-(Ethoxymethyl)pent-1-ene
CID 12755750

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene?
The IUPAC name of (3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene (CID 59871859) is (3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene.
What is the SMILES notation for (3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene?
The canonical SMILES for (3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene is C=C[C@H](C)[C@H](C)COCC.
What is the InChIKey of (3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene?
The InChIKey is XZZOKQPCBDENHF-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H18O/c1-5-8(3)9(4)7-10-6-2/h5,8-9H,1,6-7H2,2-4H3/t8-,9+/m0/s1.
What are the key properties of (3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene?
(3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene has a molecular weight of 142.24 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-5-ethoxy-3,4-dimethylpent-1-ene is sourced from PubChem (CID 59871859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).