(E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene

C10H20S2 — CID 134988636

IUPAC(E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene
SMILESC/C=C/CC(SC)(SC)C(C)C
InChIInChI=1S/C10H20S2/c1-6-7-8-10(11-4,12-5)9(2)3/h6-7,9H,8H2,1-5H3/b7-6+
InChIKeyWLCWWBBVLXPDFW-VOTSOKGWSA-N
MW204.40 g/mol
LogP4.03
Rot. Bonds5

About (E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene

(E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene (PubChem CID 134988636) has the molecular formula C10H20S2 and a molecular weight of 204.40 g/mol. Its IUPAC name is (E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene.

Molecular Properties

Compound Name(E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene
PubChem CID134988636
Molecular FormulaC10H20S2
Molecular Weight204.40 g/mol
Exact Mass204.10
IUPAC Name(E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene
SMILESC/C=C/CC(SC)(SC)C(C)C
InChIInChI=1S/C10H20S2/c1-6-7-8-10(11-4,12-5)9(2)3/h6-7,9H,8H2,1-5H3/b7-6+
InChIKeyWLCWWBBVLXPDFW-VOTSOKGWSA-N
XLogP4.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene?
The IUPAC name of (E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene (CID 134988636) is (E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene.
What is the SMILES notation for (E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene?
The canonical SMILES for (E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene is C/C=C/CC(SC)(SC)C(C)C.
What is the InChIKey of (E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene?
The InChIKey is WLCWWBBVLXPDFW-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H20S2/c1-6-7-8-10(11-4,12-5)9(2)3/h6-7,9H,8H2,1-5H3/b7-6+.
What are the key properties of (E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene?
(E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene has a molecular weight of 204.40 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-methyl-5,5-bis(methylsulfanyl)hept-2-ene is sourced from PubChem (CID 134988636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).