(3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene

C15H26S — CID 145121854

IUPAC(3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene
SMILESC=C(CCC)SC(/C=C\CC)=C(/C)CCC
InChIInChI=1S/C15H26S/c1-6-9-12-15(13(4)10-7-2)16-14(5)11-8-3/h9,12H,5-8,10-11H2,1-4H3/b12-9-,15-13-
InChIKeyQUSVLIBYKKFNLY-CHCDSEJHSA-N
MW238.44 g/mol
LogP6.07
Rot. Bonds8

About (3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene

(3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene (PubChem CID 145121854) has the molecular formula C15H26S and a molecular weight of 238.44 g/mol. Its IUPAC name is (3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene.

Molecular Properties

Compound Name(3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene
PubChem CID145121854
Molecular FormulaC15H26S
Molecular Weight238.44 g/mol
Exact Mass238.18
IUPAC Name(3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene
SMILESC=C(CCC)SC(/C=C\CC)=C(/C)CCC
InChIInChI=1S/C15H26S/c1-6-9-12-15(13(4)10-7-2)16-14(5)11-8-3/h9,12H,5-8,10-11H2,1-4H3/b12-9-,15-13-
InChIKeyQUSVLIBYKKFNLY-CHCDSEJHSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.44
LogP ≤ 56.07
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

(3Z)-2-methyl-3-pent-1-en-2-ylsulfanylpenta-1,3-diene
CID 174329664
ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
ethane;(3Z)-2-methyl-5-methylideneocta-1,3-diene
CID 143257359
(Z)-5-propan-2-ylideneoct-3-ene
CID 171660172
(E)-5-methylidenenon-3-ene
CID 173104879
(E)-4,5-dimethyloct-4-ene
CID 12714364
2-methyl-6-methylidenenona-1,4-diene
CID 90971129
5-pentan-2-ylidenedodeca-3,7-diene
CID 123891140
ethane;(3Z)-2-[(3Z)-hexa-1,3-dien-2-yl]oxy-5-methylhexa-1,3,5-triene
CID 143724412
2-butan-2-ylidenehex-3-enoic acid
CID 123237351
hexane;hex-3-en-2-one
CID 159035878
(E)-6-methylidenenon-4-ene
CID 14364497

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene?
The IUPAC name of (3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene (CID 145121854) is (3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene.
What is the SMILES notation for (3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene?
The canonical SMILES for (3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene is C=C(CCC)SC(/C=C\CC)=C(/C)CCC.
What is the InChIKey of (3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene?
The InChIKey is QUSVLIBYKKFNLY-CHCDSEJHSA-N. The full InChI is InChI=1S/C15H26S/c1-6-9-12-15(13(4)10-7-2)16-14(5)11-8-3/h9,12H,5-8,10-11H2,1-4H3/b12-9-,15-13-.
What are the key properties of (3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene?
(3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene has a molecular weight of 238.44 g/mol, XLogP of 6.07, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-methyl-5-pent-1-en-2-ylsulfanylnona-3,5-diene is sourced from PubChem (CID 145121854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).