1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane

C18H34O2S2 — CID 14612799

IUPAC1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane
SMILESCC(C)OC1CCCCC1SSC1CCCCC1OC(C)C
InChIInChI=1S/C18H34O2S2/c1-13(2)19-15-9-5-7-11-17(15)21-22-18-12-8-6-10-16(18)20-14(3)4/h13-18H,5-12H2,1-4H3
InChIKeyRFDQZQVVGOQCCX-UHFFFAOYSA-N
MW346.60 g/mol
LogP5.84
Rot. Bonds7

About 1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane

1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane (PubChem CID 14612799) has the molecular formula C18H34O2S2 and a molecular weight of 346.60 g/mol. Its IUPAC name is 1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane.

Molecular Properties

Compound Name1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane
PubChem CID14612799
Molecular FormulaC18H34O2S2
Molecular Weight346.60 g/mol
Exact Mass346.20
IUPAC Name1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane
SMILESCC(C)OC1CCCCC1SSC1CCCCC1OC(C)C
InChIInChI=1S/C18H34O2S2/c1-13(2)19-15-9-5-7-11-17(15)21-22-18-12-8-6-10-16(18)20-14(3)4/h13-18H,5-12H2,1-4H3
InChIKeyRFDQZQVVGOQCCX-UHFFFAOYSA-N
XLogP5.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.60
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane?
The IUPAC name of 1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane (CID 14612799) is 1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane.
What is the SMILES notation for 1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane?
The canonical SMILES for 1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane is CC(C)OC1CCCCC1SSC1CCCCC1OC(C)C.
What is the InChIKey of 1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane?
The InChIKey is RFDQZQVVGOQCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2S2/c1-13(2)19-15-9-5-7-11-17(15)21-22-18-12-8-6-10-16(18)20-14(3)4/h13-18H,5-12H2,1-4H3.
What are the key properties of 1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane?
1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane has a molecular weight of 346.60 g/mol, XLogP of 5.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-2-[(2-propan-2-yloxycyclohexyl)disulfanyl]cyclohexane is sourced from PubChem (CID 14612799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).