1-icosylcyclohexan-1-ol

C26H52O — CID 139622010

IUPAC1-icosylcyclohexan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCC1(O)CCCCC1
InChIInChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26(27)24-21-19-22-25-26/h27H,2-25H2,1H3
InChIKeyDSVGXBCATYFTLG-UHFFFAOYSA-N
MW380.70 g/mol
LogP9.11
Rot. Bonds19

About 1-icosylcyclohexan-1-ol

1-icosylcyclohexan-1-ol (PubChem CID 139622010) has the molecular formula C26H52O and a molecular weight of 380.70 g/mol. Its IUPAC name is 1-icosylcyclohexan-1-ol.

Molecular Properties

Compound Name1-icosylcyclohexan-1-ol
PubChem CID139622010
Molecular FormulaC26H52O
Molecular Weight380.70 g/mol
Exact Mass380.40
IUPAC Name1-icosylcyclohexan-1-ol
SMILESCCCCCCCCCCCCCCCCCCCCC1(O)CCCCC1
InChIInChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26(27)24-21-19-22-25-26/h27H,2-25H2,1H3
InChIKeyDSVGXBCATYFTLG-UHFFFAOYSA-N
XLogP9.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.70
LogP ≤ 59.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-icosylcyclohexan-1-ol?
The IUPAC name of 1-icosylcyclohexan-1-ol (CID 139622010) is 1-icosylcyclohexan-1-ol.
What is the SMILES notation for 1-icosylcyclohexan-1-ol?
The canonical SMILES for 1-icosylcyclohexan-1-ol is CCCCCCCCCCCCCCCCCCCCC1(O)CCCCC1.
What is the InChIKey of 1-icosylcyclohexan-1-ol?
The InChIKey is DSVGXBCATYFTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26(27)24-21-19-22-25-26/h27H,2-25H2,1H3.
What are the key properties of 1-icosylcyclohexan-1-ol?
1-icosylcyclohexan-1-ol has a molecular weight of 380.70 g/mol, XLogP of 9.11, 19 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-icosylcyclohexan-1-ol is sourced from PubChem (CID 139622010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).