1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene

C23H30S4 — CID 10646512

IUPAC1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene
SMILESCCSC(=CC(C=C(SCC)SCC)c1cccc2ccccc12)SCC
InChIInChI=1S/C23H30S4/c1-5-24-22(25-6-2)16-19(17-23(26-7-3)27-8-4)21-15-11-13-18-12-9-10-14-20(18)21/h9-17,19H,5-8H2,1-4H3
InChIKeyRHBVUKBRNNHZCL-UHFFFAOYSA-N
MW434.76 g/mol
LogP8.62
Rot. Bonds11

About 1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene

1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene (PubChem CID 10646512) has the molecular formula C23H30S4 and a molecular weight of 434.76 g/mol. Its IUPAC name is 1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene.

Molecular Properties

Compound Name1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene
PubChem CID10646512
Molecular FormulaC23H30S4
Molecular Weight434.76 g/mol
Exact Mass434.12
IUPAC Name1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene
SMILESCCSC(=CC(C=C(SCC)SCC)c1cccc2ccccc12)SCC
InChIInChI=1S/C23H30S4/c1-5-24-22(25-6-2)16-19(17-23(26-7-3)27-8-4)21-15-11-13-18-12-9-10-14-20(18)21/h9-17,19H,5-8H2,1-4H3
InChIKeyRHBVUKBRNNHZCL-UHFFFAOYSA-N
XLogP8.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.76
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 57075140
1-[(1R)-1-[[(1R)-1-naphthalen-1-ylethyl]disulfanyl]ethyl]naphthalene
CID 131854345
butane;1-propan-2-ylnaphthalene
CID 157253186
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
3-naphthalen-1-ylpentane-2,4-diol
CID 140608407
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
1-(3-chloropentan-2-yl)naphthalene
CID 79308301
S-ethyl 3-(2-hydroxyanilino)-3-naphthalen-1-ylpropanethioate
CID 54190800
2-ethylsulfanyl-N-methyl-1-naphthalen-1-ylethanamine
CID 64614644
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548

Frequently Asked Questions

What is the IUPAC name of 1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene?
The IUPAC name of 1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene (CID 10646512) is 1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene.
What is the SMILES notation for 1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene?
The canonical SMILES for 1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene is CCSC(=CC(C=C(SCC)SCC)c1cccc2ccccc12)SCC.
What is the InChIKey of 1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene?
The InChIKey is RHBVUKBRNNHZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30S4/c1-5-24-22(25-6-2)16-19(17-23(26-7-3)27-8-4)21-15-11-13-18-12-9-10-14-20(18)21/h9-17,19H,5-8H2,1-4H3.
What are the key properties of 1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene?
1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene has a molecular weight of 434.76 g/mol, XLogP of 8.62, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,5,5-tetrakis(ethylsulfanyl)penta-1,4-dien-3-yl]naphthalene is sourced from PubChem (CID 10646512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).