(Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene

C17H34S2 — CID 164776938

IUPAC(Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene
SMILESCCCCCC/C=C\CCSSCCCC(C)(C)C
InChIInChI=1S/C17H34S2/c1-5-6-7-8-9-10-11-12-15-18-19-16-13-14-17(2,3)4/h10-11H,5-9,12-16H2,1-4H3/b11-10-
InChIKeyCHHPDEVCYUYVSW-KHPPLWFESA-N
MW302.59 g/mol
LogP7.11
Rot. Bonds12

About (Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene

(Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene (PubChem CID 164776938) has the molecular formula C17H34S2 and a molecular weight of 302.59 g/mol. Its IUPAC name is (Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene.

Molecular Properties

Compound Name(Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene
PubChem CID164776938
Molecular FormulaC17H34S2
Molecular Weight302.59 g/mol
Exact Mass302.21
IUPAC Name(Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene
SMILESCCCCCC/C=C\CCSSCCCC(C)(C)C
InChIInChI=1S/C17H34S2/c1-5-6-7-8-9-10-11-12-15-18-19-16-13-14-17(2,3)4/h10-11H,5-9,12-16H2,1-4H3/b11-10-
InChIKeyCHHPDEVCYUYVSW-KHPPLWFESA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.59
LogP ≤ 57.11
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-2,2-dimethylnonadec-7-ene
CID 176613705
(Z)-2,2-dimethyldodec-5-ene
CID 153455160
(6Z,9Z)-17,17-dimethyloctadeca-6,9-diene
CID 140816107
(E)-10,10-dimethylundec-5-ene
CID 142794628
2,2-dimethylheptadecane;(E)-16,16-dimethylheptadec-7-ene;(6E,9E)-18,18-dimethylnonadeca-6,9-diene;2,2-dimethylnonadecane;(3E,6E,9E)-18,18-dimethylnonadeca-3,6,9-triene;(E)-18,18-dimethylnonadec-9-ene;2,2-dimethylnonane;2,2-dimethylpentadecane;(E)-14,14-dimethylpentadec-5-ene;2,2-dimethyltridecane;2,2-dimethylundecane
CID 160564214
(Z)-tricos-11-ene
CID 5356790
(E)-hexacos-10-ene
CID 22172169
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-nonacos-10-ene
CID 14367300
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene?
The IUPAC name of (Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene (CID 164776938) is (Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene.
What is the SMILES notation for (Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene?
The canonical SMILES for (Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene is CCCCCC/C=C\CCSSCCCC(C)(C)C.
What is the InChIKey of (Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene?
The InChIKey is CHHPDEVCYUYVSW-KHPPLWFESA-N. The full InChI is InChI=1S/C17H34S2/c1-5-6-7-8-9-10-11-12-15-18-19-16-13-14-17(2,3)4/h10-11H,5-9,12-16H2,1-4H3/b11-10-.
What are the key properties of (Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene?
(Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene has a molecular weight of 302.59 g/mol, XLogP of 7.11, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4,4-dimethylpentyldisulfanyl)dec-3-ene is sourced from PubChem (CID 164776938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).