(2Z)-2-(2-methylsulfanylpropylidene)oxepane

C10H18OS — CID 11819785

IUPAC(2Z)-2-(2-methylsulfanylpropylidene)oxepane
SMILESCSC(C)/C=C1/CCCCCO1
InChIInChI=1S/C10H18OS/c1-9(12-2)8-10-6-4-3-5-7-11-10/h8-9H,3-7H2,1-2H3/b10-8-
InChIKeyDQWJGGZRPBRTLT-NTMALXAHSA-N
MW186.32 g/mol
LogP3.21
Rot. Bonds2

About (2Z)-2-(2-methylsulfanylpropylidene)oxepane

(2Z)-2-(2-methylsulfanylpropylidene)oxepane (PubChem CID 11819785) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (2Z)-2-(2-methylsulfanylpropylidene)oxepane.

Molecular Properties

Compound Name(2Z)-2-(2-methylsulfanylpropylidene)oxepane
PubChem CID11819785
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(2Z)-2-(2-methylsulfanylpropylidene)oxepane
SMILESCSC(C)/C=C1/CCCCCO1
InChIInChI=1S/C10H18OS/c1-9(12-2)8-10-6-4-3-5-7-11-10/h8-9H,3-7H2,1-2H3/b10-8-
InChIKeyDQWJGGZRPBRTLT-NTMALXAHSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-methylsulfanylpropylidene)oxepane?
The IUPAC name of (2Z)-2-(2-methylsulfanylpropylidene)oxepane (CID 11819785) is (2Z)-2-(2-methylsulfanylpropylidene)oxepane.
What is the SMILES notation for (2Z)-2-(2-methylsulfanylpropylidene)oxepane?
The canonical SMILES for (2Z)-2-(2-methylsulfanylpropylidene)oxepane is CSC(C)/C=C1/CCCCCO1.
What is the InChIKey of (2Z)-2-(2-methylsulfanylpropylidene)oxepane?
The InChIKey is DQWJGGZRPBRTLT-NTMALXAHSA-N. The full InChI is InChI=1S/C10H18OS/c1-9(12-2)8-10-6-4-3-5-7-11-10/h8-9H,3-7H2,1-2H3/b10-8-.
What are the key properties of (2Z)-2-(2-methylsulfanylpropylidene)oxepane?
(2Z)-2-(2-methylsulfanylpropylidene)oxepane has a molecular weight of 186.32 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-methylsulfanylpropylidene)oxepane is sourced from PubChem (CID 11819785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).