(E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene

C9H18OS — CID 14364624

IUPAC(E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene
SMILESCOC/C=C/[C@@H](C)SC(C)C
InChIInChI=1S/C9H18OS/c1-8(2)11-9(3)6-5-7-10-4/h5-6,8-9H,7H2,1-4H3/b6-5+/t9-/m1/s1
InChIKeyINPCYXDYCJCVHV-VUHVRTRXSA-N
MW174.31 g/mol
LogP2.72
Rot. Bonds5

About (E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene

(E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene (PubChem CID 14364624) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is (E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene.

Molecular Properties

Compound Name(E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene
PubChem CID14364624
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name(E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene
SMILESCOC/C=C/[C@@H](C)SC(C)C
InChIInChI=1S/C9H18OS/c1-8(2)11-9(3)6-5-7-10-4/h5-6,8-9H,7H2,1-4H3/b6-5+/t9-/m1/s1
InChIKeyINPCYXDYCJCVHV-VUHVRTRXSA-N
XLogP2.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-1,1,4-trimethoxybut-2-ene
CID 10486990
3,6-dimethoxyhexa-1,4-diene
CID 173199607
[(E)-1,4-dimethoxybut-2-enyl] acetate
CID 91828201
(2Z,5Z)-1,7-dimethoxyhepta-2,5-diene
CID 143599769
1-methoxypent-2-ene
CID 551185
1,1-dimethoxyethane;2-methoxyacetaldehyde
CID 87085944
(E)-1-methoxy-5-methyloct-2-ene
CID 88527426
(E)-7-methoxy-3-methylhept-5-en-2-one
CID 59550367
(E)-1-methoxyhex-2-ene
CID 5366215
2-methoxyacetaldehyde;zinc
CID 57446911
2-methoxyacetaldehyde;niobium
CID 87513078
1-(3-methoxyprop-1-enyl)cyclopropene
CID 90887597

Frequently Asked Questions

What is the IUPAC name of (E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene?
The IUPAC name of (E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene (CID 14364624) is (E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene.
What is the SMILES notation for (E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene?
The canonical SMILES for (E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene is COC/C=C/[C@@H](C)SC(C)C.
What is the InChIKey of (E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene?
The InChIKey is INPCYXDYCJCVHV-VUHVRTRXSA-N. The full InChI is InChI=1S/C9H18OS/c1-8(2)11-9(3)6-5-7-10-4/h5-6,8-9H,7H2,1-4H3/b6-5+/t9-/m1/s1.
What are the key properties of (E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene?
(E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene has a molecular weight of 174.31 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-1-methoxy-4-propan-2-ylsulfanylpent-2-ene is sourced from PubChem (CID 14364624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).