(4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene

C14H26S2 — CID 175127577

IUPAC(4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene
SMILESCC[C@@H](C)CC=CSSC=CC[C@H](C)CC
InChIInChI=1S/C14H26S2/c1-5-13(3)9-7-11-15-16-12-8-10-14(4)6-2/h7-8,11-14H,5-6,9-10H2,1-4H3/t13-,14-/m1/s1
InChIKeyLTHXNWWEKVEULJ-ZIAGYGMSSA-N
MW258.50 g/mol
LogP6.27
Rot. Bonds9

About (4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene

(4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene (PubChem CID 175127577) has the molecular formula C14H26S2 and a molecular weight of 258.50 g/mol. Its IUPAC name is (4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene.

Molecular Properties

Compound Name(4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene
PubChem CID175127577
Molecular FormulaC14H26S2
Molecular Weight258.50 g/mol
Exact Mass258.15
IUPAC Name(4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene
SMILESCC[C@@H](C)CC=CSSC=CC[C@H](C)CC
InChIInChI=1S/C14H26S2/c1-5-13(3)9-7-11-15-16-12-8-10-14(4)6-2/h7-8,11-14H,5-6,9-10H2,1-4H3/t13-,14-/m1/s1
InChIKeyLTHXNWWEKVEULJ-ZIAGYGMSSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.50
LogP ≤ 56.27
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'}

Analyze (4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene with MolForge

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Related Compounds

(E)-ethylidene-fluoro-[(Z)-4-methylhex-1-enyl]-lambda4-sulfane
CID 123417811
2-Butyl-4-pentenethiol
CID 129783071
Dihexenyl trisulfide
CID 129866006
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
3,4-Bis(ethenyl)hexane-2,5-dithiol
CID 20581910
4-Methyl-6-methylsulfanylhex-1-ene
CID 53759535
4-(Hex-5-en-3-yldisulfanyl)hex-1-ene
CID 54472813
1-(Hex-1-enyldisulfanyl)hex-1-ene
CID 57185790
3-(Hex-1-en-3-yldisulfanyl)hex-1-ene
CID 57227203
(Z)-5-methyl-4-methylidene-1-methylsulfanylhex-1-ene
CID 58219028
5-Methyl-1-(5-methylhept-2-enyldisulfanyl)hept-2-ene
CID 85565623
3-Ethenylpentane-1,5-dithiol
CID 87461359

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene?
The IUPAC name of (4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene (CID 175127577) is (4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene.
What is the SMILES notation for (4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene?
The canonical SMILES for (4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene is CC[C@@H](C)CC=CSSC=CC[C@H](C)CC.
What is the InChIKey of (4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene?
The InChIKey is LTHXNWWEKVEULJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C14H26S2/c1-5-13(3)9-7-11-15-16-12-8-10-14(4)6-2/h7-8,11-14H,5-6,9-10H2,1-4H3/t13-,14-/m1/s1.
What are the key properties of (4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene?
(4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene has a molecular weight of 258.50 g/mol, XLogP of 6.27, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-1-[[(4R)-4-methylhex-1-enyl]disulfanyl]hex-1-ene is sourced from PubChem (CID 175127577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).