(4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene

C11H22OS — CID 10420405

IUPAC(4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene
SMILESC=CC[C@H](OC)[C@@H](CCCC)SC
InChIInChI=1S/C11H22OS/c1-5-7-9-11(13-4)10(12-3)8-6-2/h6,10-11H,2,5,7-9H2,1,3-4H3/t10-,11+/m0/s1
InChIKeyWGHBTKXPBPZUSD-WDEREUQCSA-N
MW202.36 g/mol
LogP3.50
Rot. Bonds8

About (4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene

(4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene (PubChem CID 10420405) has the molecular formula C11H22OS and a molecular weight of 202.36 g/mol. Its IUPAC name is (4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene.

Molecular Properties

Compound Name(4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene
PubChem CID10420405
Molecular FormulaC11H22OS
Molecular Weight202.36 g/mol
Exact Mass202.14
IUPAC Name(4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene
SMILESC=CC[C@H](OC)[C@@H](CCCC)SC
InChIInChI=1S/C11H22OS/c1-5-7-9-11(13-4)10(12-3)8-6-2/h6,10-11H,2,5,7-9H2,1,3-4H3/t10-,11+/m0/s1
InChIKeyWGHBTKXPBPZUSD-WDEREUQCSA-N
XLogP3.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.36
LogP ≤ 53.50
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

2-Methylsulfanyl-2-prop-2-enyloxepane
CID 14681298
2-Methylsulfanyl-2-prop-2-enyloxonane
CID 14681301
2-Methylsulfanyl-2-prop-2-enyl-oxacycloheptadecane
CID 14681314
2-Methylsulfanyl-2-prop-2-enyloxocane
CID 86241841
2-Methylsulfanyl-2-prop-2-enyl-oxacyclooctadecane
CID 134871894
4-Ethoxy-4-methylsulfanyloct-1-ene
CID 134872067
But-3-enyl-methyl-[4-(oxolan-2-yl)butyl]sulfanium
CID 23326603
2-(Nonoxymethyl)-2,3-dihydrothiophene
CID 91232222
2-(Heptoxymethyl)-2,3-dihydrothiophene
CID 91304634
2-(Octoxymethyl)-2,3-dihydrothiophene
CID 91418087
O-octyl 2,3-dihydrothiophen-2-ylmethylsulfanylmethanethioate
CID 141017195
(Z)-1-methylsulfanyl-11-propan-2-yloxyundec-2-ene
CID 166963155

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene?
The IUPAC name of (4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene (CID 10420405) is (4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene.
What is the SMILES notation for (4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene?
The canonical SMILES for (4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene is C=CC[C@H](OC)[C@@H](CCCC)SC.
What is the InChIKey of (4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene?
The InChIKey is WGHBTKXPBPZUSD-WDEREUQCSA-N. The full InChI is InChI=1S/C11H22OS/c1-5-7-9-11(13-4)10(12-3)8-6-2/h6,10-11H,2,5,7-9H2,1,3-4H3/t10-,11+/m0/s1.
What are the key properties of (4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene?
(4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene has a molecular weight of 202.36 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-methoxy-5-methylsulfanylnon-1-ene is sourced from PubChem (CID 10420405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).