1-(2-adamantyl)hexan-1-ol

C16H28O — CID 115784330

IUPAC1-(2-adamantyl)hexan-1-ol
SMILESCCCCCC(O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28O/c1-2-3-4-5-15(17)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-17H,2-10H2,1H3
InChIKeyOWFDGPGTNRIYBM-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.00
Rot. Bonds5

About 1-(2-adamantyl)hexan-1-ol

1-(2-adamantyl)hexan-1-ol (PubChem CID 115784330) has the molecular formula C16H28O and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-(2-adamantyl)hexan-1-ol.

Molecular Properties

Compound Name1-(2-adamantyl)hexan-1-ol
PubChem CID115784330
Molecular FormulaC16H28O
Molecular Weight236.40 g/mol
Exact Mass236.21
IUPAC Name1-(2-adamantyl)hexan-1-ol
SMILESCCCCCC(O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H28O/c1-2-3-4-5-15(17)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-17H,2-10H2,1H3
InChIKeyOWFDGPGTNRIYBM-UHFFFAOYSA-N
XLogP4.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.00
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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Related Compounds

1-(2-adamantyl)-5-methoxypentan-1-ol
CID 112754849
1-(3-bicyclo[3.1.0]hexanyl)tridecan-1-ol
CID 115789478
1-(2-adamantyl)-N-methylhexan-1-amine
CID 115837552
1-(2-adamantyl)octylhydrazine
CID 105293660
adamantane;hexane
CID 157109132
1-(7-bicyclo[4.1.0]heptanyl)hexan-1-ol
CID 115784454
1-(7-bicyclo[4.1.0]heptanyl)undecan-1-ol
CID 115789193
1-cyclopropyltetradecan-1-ol
CID 63461268
1-cyclopropylheptan-1-ol
CID 10909821
1-cyclopropyltridecan-1-ol
CID 63410999
1-(dioxiran-3-yl)heptan-1-ol
CID 141086578
1-(1-adamantyl)octan-1-ol
CID 63411073

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)hexan-1-ol?
The IUPAC name of 1-(2-adamantyl)hexan-1-ol (CID 115784330) is 1-(2-adamantyl)hexan-1-ol.
What is the SMILES notation for 1-(2-adamantyl)hexan-1-ol?
The canonical SMILES for 1-(2-adamantyl)hexan-1-ol is CCCCCC(O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)hexan-1-ol?
The InChIKey is OWFDGPGTNRIYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O/c1-2-3-4-5-15(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)hexan-1-ol?
1-(2-adamantyl)hexan-1-ol has a molecular weight of 236.40 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)hexan-1-ol is sourced from PubChem (CID 115784330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).