1-(2-adamantyl)-5-methoxypentan-1-ol

C16H28O2 — CID 112754849

IUPAC1-(2-adamantyl)-5-methoxypentan-1-ol
SMILESCOCCCCC(O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28O2/c1-18-5-3-2-4-15(17)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-17H,2-10H2,1H3
InChIKeyPTDYEYSQYKLSRT-UHFFFAOYSA-N
MW252.40 g/mol
LogP3.24
Rot. Bonds6

About 1-(2-adamantyl)-5-methoxypentan-1-ol

1-(2-adamantyl)-5-methoxypentan-1-ol (PubChem CID 112754849) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-(2-adamantyl)-5-methoxypentan-1-ol.

Molecular Properties

Compound Name1-(2-adamantyl)-5-methoxypentan-1-ol
PubChem CID112754849
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name1-(2-adamantyl)-5-methoxypentan-1-ol
SMILESCOCCCCC(O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28O2/c1-18-5-3-2-4-15(17)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-17H,2-10H2,1H3
InChIKeyPTDYEYSQYKLSRT-UHFFFAOYSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-adamantyl)-5-methoxypentan-1-ol?
The IUPAC name of 1-(2-adamantyl)-5-methoxypentan-1-ol (CID 112754849) is 1-(2-adamantyl)-5-methoxypentan-1-ol.
What is the SMILES notation for 1-(2-adamantyl)-5-methoxypentan-1-ol?
The canonical SMILES for 1-(2-adamantyl)-5-methoxypentan-1-ol is COCCCCC(O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-5-methoxypentan-1-ol?
The InChIKey is PTDYEYSQYKLSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-18-5-3-2-4-15(17)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-17H,2-10H2,1H3.
What are the key properties of 1-(2-adamantyl)-5-methoxypentan-1-ol?
1-(2-adamantyl)-5-methoxypentan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-5-methoxypentan-1-ol is sourced from PubChem (CID 112754849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).