(3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene

C11H18S — CID 174329664

IUPAC(3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene
SMILESC=C(CCC)S/C(=C\C)C(=C)C
InChIInChI=1S/C11H18S/c1-6-8-10(5)12-11(7-2)9(3)4/h7H,3,5-6,8H2,1-2,4H3/b11-7-
InChIKeyWKWDGLRMFHUYQT-XFFZJAGNSA-N
MW182.33 g/mol
LogP4.51
Rot. Bonds5

About (3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene

(3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene (PubChem CID 174329664) has the molecular formula C11H18S and a molecular weight of 182.33 g/mol. Its IUPAC name is (3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene
PubChem CID174329664
Molecular FormulaC11H18S
Molecular Weight182.33 g/mol
Exact Mass182.11
IUPAC Name(3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene
SMILESC=C(CCC)S/C(=C\C)C(=C)C
InChIInChI=1S/C11H18S/c1-6-8-10(5)12-11(7-2)9(3)4/h7H,3,5-6,8H2,1-2,4H3/b11-7-
InChIKeyWKWDGLRMFHUYQT-XFFZJAGNSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.33
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-2-pent-1-en-2-ylsulfanylbut-2-enoate
CID 143552485
(3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene
CID 145121854
(3E)-3-ethylidene-2-methylhex-1-ene
CID 143524978
methane;2-methylpent-1-ene;bis(prop-1-ene)
CID 159090973
methyl 2-pent-1-en-2-ylsulfanylprop-2-enoate
CID 143727969
methane;hexakis(2-methylpent-1-ene)
CID 175346690
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
N-[(1Z,4E)-3-methylidene-4-prop-1-en-2-ylhexa-1,4-dienyl]pentan-2-imine
CID 135210367
4,5-dimethylideneoctane
CID 13294231
heptan-4-imine;2-methylprop-1-ene
CID 175527412
sodium;hydride;2-methylpent-1-ene
CID 174251970
(3E)-2,3-dimethyl-6-methylidenenona-1,3-diene
CID 144514030

Frequently Asked Questions

What is the IUPAC name of (3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene?
The IUPAC name of (3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene (CID 174329664) is (3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene.
What is the SMILES notation for (3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene?
The canonical SMILES for (3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene is C=C(CCC)S/C(=C\C)C(=C)C.
What is the InChIKey of (3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene?
The InChIKey is WKWDGLRMFHUYQT-XFFZJAGNSA-N. The full InChI is InChI=1S/C11H18S/c1-6-8-10(5)12-11(7-2)9(3)4/h7H,3,5-6,8H2,1-2,4H3/b11-7-.
What are the key properties of (3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene?
(3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene has a molecular weight of 182.33 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene is sourced from PubChem (CID 174329664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).