(1E)-1-(methylsulfanylmethyl)cyclooctene

C10H18S — CID 87205341

IUPAC(1E)-1-(methylsulfanylmethyl)cyclooctene
SMILESCSC/C1=C/CCCCCC1
InChIInChI=1S/C10H18S/c1-11-9-10-7-5-3-2-4-6-8-10/h7H,2-6,8-9H2,1H3/b10-7+
InChIKeyKGIZREFQGMBYSA-JXMROGBWSA-N
MW170.32 g/mol
LogP3.63
Rot. Bonds2

About (1E)-1-(methylsulfanylmethyl)cyclooctene

(1E)-1-(methylsulfanylmethyl)cyclooctene (PubChem CID 87205341) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is (1E)-1-(methylsulfanylmethyl)cyclooctene.

Molecular Properties

Compound Name(1E)-1-(methylsulfanylmethyl)cyclooctene
PubChem CID87205341
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name(1E)-1-(methylsulfanylmethyl)cyclooctene
SMILESCSC/C1=C/CCCCCC1
InChIInChI=1S/C10H18S/c1-11-9-10-7-5-3-2-4-6-8-10/h7H,2-6,8-9H2,1H3/b10-7+
InChIKeyKGIZREFQGMBYSA-JXMROGBWSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.63
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

1-(methylsulfanylmethyl)cyclopentene
CID 54104763
cyclododecen-1-ylmethanol
CID 70464862
cyclododecen-1-ylmethanamine
CID 70571219
1-(methoxymethyl)cycloheptene
CID 66889077
1-butylcyclononene
CID 56981158
2-(Cyclohex-1-en-1-yl)ethyl
CID 57423167
1-(methylsulfinylmethyl)cycloheptene
CID 16743007
N-(cyclohepten-1-ylmethyl)propan-2-amine
CID 106653004
1-pentylcyclododecene
CID 150654776
cyclohexen-1-ylmethyl(trimethyl)silane
CID 10964921
1-hexylcycloheptene
CID 15587826
1-nonylcyclooctene
CID 151486862

Frequently Asked Questions

What is the IUPAC name of (1E)-1-(methylsulfanylmethyl)cyclooctene?
The IUPAC name of (1E)-1-(methylsulfanylmethyl)cyclooctene (CID 87205341) is (1E)-1-(methylsulfanylmethyl)cyclooctene.
What is the SMILES notation for (1E)-1-(methylsulfanylmethyl)cyclooctene?
The canonical SMILES for (1E)-1-(methylsulfanylmethyl)cyclooctene is CSC/C1=C/CCCCCC1.
What is the InChIKey of (1E)-1-(methylsulfanylmethyl)cyclooctene?
The InChIKey is KGIZREFQGMBYSA-JXMROGBWSA-N. The full InChI is InChI=1S/C10H18S/c1-11-9-10-7-5-3-2-4-6-8-10/h7H,2-6,8-9H2,1H3/b10-7+.
What are the key properties of (1E)-1-(methylsulfanylmethyl)cyclooctene?
(1E)-1-(methylsulfanylmethyl)cyclooctene has a molecular weight of 170.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-(methylsulfanylmethyl)cyclooctene is sourced from PubChem (CID 87205341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).