carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum

C18H33OPt-3 — CID 164901558

IUPACcarbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum
SMILESCC1=CC=C(C(C)C)C(C)C2C(O)CCC12.[CH3-].[CH3-].[CH3-].[Pt]
InChIInChI=1S/C15H24O.3CH3.Pt/c1-9(2)12-6-5-10(3)13-7-8-14(16)15(13)11(12)4;;;;/h5-6,9,11,13-16H,7-8H2,1-4H3;3*1H3;/q;3*-1;
InChIKeyBDNMPMMRRYENFA-UHFFFAOYSA-N
MW460.54 g/mol
LogP4.90
Rot. Bonds1

About carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum

carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum (PubChem CID 164901558) has the molecular formula C18H33OPt-3 and a molecular weight of 460.54 g/mol. Its IUPAC name is carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum.

Molecular Properties

Compound Namecarbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum
PubChem CID164901558
Molecular FormulaC18H33OPt-3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC Namecarbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum
SMILESCC1=CC=C(C(C)C)C(C)C2C(O)CCC12.[CH3-].[CH3-].[CH3-].[Pt]
InChIInChI=1S/C15H24O.3CH3.Pt/c1-9(2)12-6-5-10(3)13-7-8-14(16)15(13)11(12)4;;;;/h5-6,9,11,13-16H,7-8H2,1-4H3;3*1H3;/q;3*-1;
InChIKeyBDNMPMMRRYENFA-UHFFFAOYSA-N
XLogP4.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum?
The IUPAC name of carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum (CID 164901558) is carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum.
What is the SMILES notation for carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum?
The canonical SMILES for carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum is CC1=CC=C(C(C)C)C(C)C2C(O)CCC12.[CH3-].[CH3-].[CH3-].[Pt].
What is the InChIKey of carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum?
The InChIKey is BDNMPMMRRYENFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O.3CH3.Pt/c1-9(2)12-6-5-10(3)13-7-8-14(16)15(13)11(12)4;;;;/h5-6,9,11,13-16H,7-8H2,1-4H3;3*1H3;/q;3*-1;.
What are the key properties of carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum?
carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum has a molecular weight of 460.54 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;4,8-dimethyl-7-propan-2-yl-1,2,3,3a,8,8a-hexahydroazulen-1-ol;platinum is sourced from PubChem (CID 164901558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).