2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde

C10H16OS — CID 59977187

IUPAC2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde
SMILESCC(C)/C=C/C=C\CSCC=O
InChIInChI=1S/C10H16OS/c1-10(2)6-4-3-5-8-12-9-7-11/h3-7,10H,8-9H2,1-2H3/b5-3-,6-4+
InChIKeyLJCMVQLEZMVFPT-CIIODKQPSA-N
MW184.30 g/mol
LogP2.69
Rot. Bonds6

About 2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde

2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde (PubChem CID 59977187) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde.

Molecular Properties

Compound Name2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde
PubChem CID59977187
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde
SMILESCC(C)/C=C/C=C\CSCC=O
InChIInChI=1S/C10H16OS/c1-10(2)6-4-3-5-8-12-9-7-11/h3-7,10H,8-9H2,1-2H3/b5-3-,6-4+
InChIKeyLJCMVQLEZMVFPT-CIIODKQPSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene
CID 58373550
(4E,6E)-8-methylnona-4,6-dienoic acid
CID 169444513
(E)-2,5-dimethylhex-3-ene;(3E,5E)-2,7-dimethylocta-3,5-diene
CID 158024644
(3Z,5E)-12-chloro-2-methyldodeca-3,5-diene
CID 171485746
2-methylhexadeca-3,5-diene
CID 140995829
(Z)-7-[(2Z,4E)-6-hydroxyhepta-2,4-dienyl]sulfanylhept-5-enoic acid
CID 59977211
2-ethylsulfanylacetaldehyde
CID 12726335
4-ethylsulfanylbut-2-enal
CID 175388020
2-(2,3-dihydroxypropylsulfanyl)acetaldehyde
CID 79670876
(1E,3Z)-5-methylhexa-1,3-dien-1-amine
CID 163516351
(1E,3E)-1-iodo-5-methylhexa-1,3-diene
CID 88539318
(E)-2,6-dimethylhept-3-ene
CID 5364654

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde?
The IUPAC name of 2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde (CID 59977187) is 2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde.
What is the SMILES notation for 2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde?
The canonical SMILES for 2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde is CC(C)/C=C/C=C\CSCC=O.
What is the InChIKey of 2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde?
The InChIKey is LJCMVQLEZMVFPT-CIIODKQPSA-N. The full InChI is InChI=1S/C10H16OS/c1-10(2)6-4-3-5-8-12-9-7-11/h3-7,10H,8-9H2,1-2H3/b5-3-,6-4+.
What are the key properties of 2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde?
2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde has a molecular weight of 184.30 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,4E)-6-methylhepta-2,4-dienyl]sulfanylacetaldehyde is sourced from PubChem (CID 59977187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).