2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene

C12H22S2 — CID 175555923

IUPAC2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene
SMILESCCCC(C)=CSSC=C(C)CCC
InChIInChI=1S/C12H22S2/c1-5-7-11(3)9-13-14-10-12(4)8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyPETRIQJRCICKIT-UHFFFAOYSA-N
MW230.44 g/mol
LogP5.78
Rot. Bonds7

About 2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene

2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene (PubChem CID 175555923) has the molecular formula C12H22S2 and a molecular weight of 230.44 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene.

Molecular Properties

Compound Name2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene
PubChem CID175555923
Molecular FormulaC12H22S2
Molecular Weight230.44 g/mol
Exact Mass230.12
IUPAC Name2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene
SMILESCCCC(C)=CSSC=C(C)CCC
InChIInChI=1S/C12H22S2/c1-5-7-11(3)9-13-14-10-12(4)8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyPETRIQJRCICKIT-UHFFFAOYSA-N
XLogP5.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.44
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769
1-iodo-2-methylpent-1-ene
CID 73232688
4-methyl-7-methylidenedec-4-ene
CID 173283032
(4E)-2,3,5-trimethylocta-2,4-diene
CID 144603275
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
(Z)-2-methyl-1-methylsulfanyloct-1-ene
CID 100956910
1-[(Z)-2-methylpent-1-enyl]sulfanylethenylbenzene
CID 170033214
2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene
CID 57106864
(E)-N,N-diethyl-2-methylpent-1-en-1-amine
CID 15094783
N-[(1Z,3E)-4-methyl-1-methylsulfanylhepta-1,3-dien-2-yl]ethanimine
CID 143053901
N',N'-dimethyl-N-[1-[(Z)-2-methylpent-1-enyl]sulfanylethenyl]ethane-1,2-diamine
CID 142207703
(E)-2,5-dimethyloct-4-ene
CID 173056267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene?
The IUPAC name of 2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene (CID 175555923) is 2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene.
What is the SMILES notation for 2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene?
The canonical SMILES for 2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene is CCCC(C)=CSSC=C(C)CCC.
What is the InChIKey of 2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene?
The InChIKey is PETRIQJRCICKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22S2/c1-5-7-11(3)9-13-14-10-12(4)8-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene?
2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene has a molecular weight of 230.44 g/mol, XLogP of 5.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene is sourced from PubChem (CID 175555923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).