(Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene

C13H24S — CID 130390469

IUPAC(Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene
SMILESC=C(C)S/C(=C\C)CC(C)(C)C(C)C
InChIInChI=1S/C13H24S/c1-8-12(14-11(4)5)9-13(6,7)10(2)3/h8,10H,4,9H2,1-3,5-7H3/b12-8-
InChIKeyRQMHNFPLASBHLL-WQLSENKSSA-N
MW212.40 g/mol
LogP5.23
Rot. Bonds5

About (Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene

(Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene (PubChem CID 130390469) has the molecular formula C13H24S and a molecular weight of 212.40 g/mol. Its IUPAC name is (Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene.

Molecular Properties

Compound Name(Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene
PubChem CID130390469
Molecular FormulaC13H24S
Molecular Weight212.40 g/mol
Exact Mass212.16
IUPAC Name(Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene
SMILESC=C(C)S/C(=C\C)CC(C)(C)C(C)C
InChIInChI=1S/C13H24S/c1-8-12(14-11(4)5)9-13(6,7)10(2)3/h8,10H,4,9H2,1-3,5-7H3/b12-8-
InChIKeyRQMHNFPLASBHLL-WQLSENKSSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.40
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene?
The IUPAC name of (Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene (CID 130390469) is (Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene.
What is the SMILES notation for (Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene?
The canonical SMILES for (Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene is C=C(C)S/C(=C\C)CC(C)(C)C(C)C.
What is the InChIKey of (Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene?
The InChIKey is RQMHNFPLASBHLL-WQLSENKSSA-N. The full InChI is InChI=1S/C13H24S/c1-8-12(14-11(4)5)9-13(6,7)10(2)3/h8,10H,4,9H2,1-3,5-7H3/b12-8-.
What are the key properties of (Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene?
(Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene has a molecular weight of 212.40 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,6-trimethyl-3-prop-1-en-2-ylsulfanylhept-2-ene is sourced from PubChem (CID 130390469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).