1-(1-adamantyl)octan-1-ol

C18H32O — CID 63411073

IUPAC1-(1-adamantyl)octan-1-ol
SMILESCCCCCCCC(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-17(19)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-17,19H,2-13H2,1H3
InChIKeyDPUVZMCJTADNRI-UHFFFAOYSA-N
MW264.45 g/mol
LogP4.92
Rot. Bonds7

About 1-(1-adamantyl)octan-1-ol

1-(1-adamantyl)octan-1-ol (PubChem CID 63411073) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 1-(1-adamantyl)octan-1-ol.

Molecular Properties

Compound Name1-(1-adamantyl)octan-1-ol
PubChem CID63411073
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name1-(1-adamantyl)octan-1-ol
SMILESCCCCCCCC(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H32O/c1-2-3-4-5-6-7-17(19)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-17,19H,2-13H2,1H3
InChIKeyDPUVZMCJTADNRI-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.45
LogP ≤ 54.92
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-(1-adamantyl)pentan-1-ol
CID 584500
4-[3-[(1S)-1-hydroxyheptyl]-1-adamantyl]phenol
CID 162770566
1-(1-adamantyl)dodecylurea
CID 66892445
4-(1-adamantyl)nonan-5-one
CID 585196
1-[1-[1-(1-hydroxyundecyl)cyclopropyl]oxycyclopropyl]undecan-1-ol
CID 66961510
(1R)-1-[(1R)-1-methyl-2-methylidenecyclopropyl]heptan-1-ol
CID 11041373
1-(3-methyl-1-adamantyl)oct-7-en-1-ol
CID 107012329
1-hexyladamantane
CID 585171
2-(1-adamantyl)hexanal
CID 12993244
1-(1-methylcyclopentyl)nonan-1-ol
CID 115784043
1-(1-methylcyclopentyl)heptan-1-ol
CID 115783527
1-(1-adamantyl)-3-(4-hydroxydecyl)urea
CID 11772500

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)octan-1-ol?
The IUPAC name of 1-(1-adamantyl)octan-1-ol (CID 63411073) is 1-(1-adamantyl)octan-1-ol.
What is the SMILES notation for 1-(1-adamantyl)octan-1-ol?
The canonical SMILES for 1-(1-adamantyl)octan-1-ol is CCCCCCCC(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)octan-1-ol?
The InChIKey is DPUVZMCJTADNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-2-3-4-5-6-7-17(19)18-11-14-8-15(12-18)10-16(9-14)13-18/h14-17,19H,2-13H2,1H3.
What are the key properties of 1-(1-adamantyl)octan-1-ol?
1-(1-adamantyl)octan-1-ol has a molecular weight of 264.45 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)octan-1-ol is sourced from PubChem (CID 63411073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).