CID 11986061

C20H30S2V-8 — CID 11986061

IUPAC—
SMILESC[c-]1[c-](C)[c-](C)[c-](C)[c-]1C.Cc1c(C)c(C)[c-](C)c1C.[S-][S-].[V]
InChIInChI=1S/2C10H15.S2.V/c2*1-6-7(2)9(4)10(5)8(6)3;1-2;/h2*1-5H3;;/q-5;-1;-2;
InChIKeyDNVRSNUIBMAORN-UHFFFAOYSA-N
MW385.54 g/mol
LogP5.89
Rot. Bonds

About CID 11986061

CID 11986061 (PubChem CID 11986061) has the molecular formula C20H30S2V-8 and a molecular weight of 385.54 g/mol.

Molecular Properties

Compound NameCID 11986061
PubChem CID11986061
Molecular FormulaC20H30S2V-8
Molecular Weight385.54 g/mol
Exact Mass385.13
IUPAC Name—
SMILESC[c-]1[c-](C)[c-](C)[c-](C)[c-]1C.Cc1c(C)c(C)[c-](C)c1C.[S-][S-].[V]
InChIInChI=1S/2C10H15.S2.V/c2*1-6-7(2)9(4)10(5)8(6)3;1-2;/h2*1-5H3;;/q-5;-1;-2;
InChIKeyDNVRSNUIBMAORN-UHFFFAOYSA-N
XLogP5.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.54
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 11986061?
The IUPAC name of CID 11986061 (CID 11986061) is not available.
What is the SMILES notation for CID 11986061?
The canonical SMILES for CID 11986061 is C[c-]1[c-](C)[c-](C)[c-](C)[c-]1C.Cc1c(C)c(C)[c-](C)c1C.[S-][S-].[V].
What is the InChIKey of CID 11986061?
The InChIKey is DNVRSNUIBMAORN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.S2.V/c2*1-6-7(2)9(4)10(5)8(6)3;1-2;/h2*1-5H3;;/q-5;-1;-2;.
What are the key properties of CID 11986061?
CID 11986061 has a molecular weight of 385.54 g/mol, XLogP of 5.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11986061 is sourced from PubChem (CID 11986061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).