3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene

C14H26S — CID 19043507

IUPAC3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene
SMILESC=CC(SC(C=C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H26S/c1-9-11(13(3,4)5)15-12(10-2)14(6,7)8/h9-12H,1-2H2,3-8H3
InChIKeyBBZXLOSPPZPKKZ-UHFFFAOYSA-N
MW226.43 g/mol
LogP4.92
Rot. Bonds4

About 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene

3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene (PubChem CID 19043507) has the molecular formula C14H26S and a molecular weight of 226.43 g/mol. Its IUPAC name is 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene.

Molecular Properties

Compound Name3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene
PubChem CID19043507
Molecular FormulaC14H26S
Molecular Weight226.43 g/mol
Exact Mass226.18
IUPAC Name3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene
SMILESC=CC(SC(C=C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H26S/c1-9-11(13(3,4)5)15-12(10-2)14(6,7)8/h9-12H,1-2H2,3-8H3
InChIKeyBBZXLOSPPZPKKZ-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-But-3-enylsulfanyl-2-methylpropane
CID 12385580
6-Tert-butylsulfanylhex-1-ene
CID 12385582
Ethyl hexen-5-yl sulfide
CID 91052023
2H-Thiopyran,3,4-dihydro-4,4-dimethyl-
CID 143055
(4Z)-7,7-dimethyl-2,3,6,8-tetrahydrothiocine
CID 21587557
5-Tert-butylsulfanylpent-1-ene
CID 12385581
3,3-Dimethyl-4-[(propan-2-yl)sulfanyl]hexa-1,5-diene
CID 13263818
1-Butylsulfanyl-2-methylpent-4-ene-1-selone
CID 134893977
1-Ethylthio-5,5-dimethyl-2-hexene
CID 6420820
1-Butylsulfanyl-3-methylpent-4-ene-1-selone
CID 11265170
4-Ethylsulfanyl-3-methylpent-1-ene
CID 21573818
(2S)-2-tert-Butyl-2,5-dihydrothiophene
CID 71423925

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene?
The IUPAC name of 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene (CID 19043507) is 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene.
What is the SMILES notation for 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene?
The canonical SMILES for 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene is C=CC(SC(C=C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene?
The InChIKey is BBZXLOSPPZPKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26S/c1-9-11(13(3,4)5)15-12(10-2)14(6,7)8/h9-12H,1-2H2,3-8H3.
What are the key properties of 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene?
3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene has a molecular weight of 226.43 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylpent-1-en-3-ylsulfanyl)-4,4-dimethylpent-1-ene is sourced from PubChem (CID 19043507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).