gold;1-tetradeca-1,3-diynylcyclohexan-1-ol

C20H32AuO — CID 87675243

IUPACgold;1-tetradeca-1,3-diynylcyclohexan-1-ol
SMILESCCCCCCCCCCC#CC#CC1(O)CCCCC1.[Au]
InChIInChI=1S/C20H32O.Au/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20(21)18-15-13-16-19-20;/h21H,2-10,13,15-16,18-19H2,1H3;
InChIKeyXLCCPUCWXDRNFD-UHFFFAOYSA-N
MW485.44 g/mol
LogP5.22
Rot. Bonds8

About gold;1-tetradeca-1,3-diynylcyclohexan-1-ol

gold;1-tetradeca-1,3-diynylcyclohexan-1-ol (PubChem CID 87675243) has the molecular formula C20H32AuO and a molecular weight of 485.44 g/mol. Its IUPAC name is gold;1-tetradeca-1,3-diynylcyclohexan-1-ol.

Molecular Properties

Compound Namegold;1-tetradeca-1,3-diynylcyclohexan-1-ol
PubChem CID87675243
Molecular FormulaC20H32AuO
Molecular Weight485.44 g/mol
Exact Mass485.21
IUPAC Namegold;1-tetradeca-1,3-diynylcyclohexan-1-ol
SMILESCCCCCCCCCCC#CC#CC1(O)CCCCC1.[Au]
InChIInChI=1S/C20H32O.Au/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20(21)18-15-13-16-19-20;/h21H,2-10,13,15-16,18-19H2,1H3;
InChIKeyXLCCPUCWXDRNFD-UHFFFAOYSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.44
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 101092007
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CID 102596611
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CID 102596615
hept-1-yne;nonadeca-6,8-diyne
CID 91221383
hexadeca-9,11-diyn-1-ol
CID 24975633
henicosa-2,4,6,8,10,12,14-heptayne
CID 176741061

Frequently Asked Questions

What is the IUPAC name of gold;1-tetradeca-1,3-diynylcyclohexan-1-ol?
The IUPAC name of gold;1-tetradeca-1,3-diynylcyclohexan-1-ol (CID 87675243) is gold;1-tetradeca-1,3-diynylcyclohexan-1-ol.
What is the SMILES notation for gold;1-tetradeca-1,3-diynylcyclohexan-1-ol?
The canonical SMILES for gold;1-tetradeca-1,3-diynylcyclohexan-1-ol is CCCCCCCCCCC#CC#CC1(O)CCCCC1.[Au].
What is the InChIKey of gold;1-tetradeca-1,3-diynylcyclohexan-1-ol?
The InChIKey is XLCCPUCWXDRNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O.Au/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20(21)18-15-13-16-19-20;/h21H,2-10,13,15-16,18-19H2,1H3;.
What are the key properties of gold;1-tetradeca-1,3-diynylcyclohexan-1-ol?
gold;1-tetradeca-1,3-diynylcyclohexan-1-ol has a molecular weight of 485.44 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for gold;1-tetradeca-1,3-diynylcyclohexan-1-ol is sourced from PubChem (CID 87675243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).