1-(1-adamantyl)pentan-1-ol

C15H26O — CID 584500

IUPAC1-(1-adamantyl)pentan-1-ol
SMILESCCCCC(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26O/c1-2-3-4-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14,16H,2-10H2,1H3
InChIKeySQQCNQNYQYLJHY-UHFFFAOYSA-N
MW222.37 g/mol
LogP3.75
Rot. Bonds4

About 1-(1-adamantyl)pentan-1-ol

1-(1-adamantyl)pentan-1-ol (PubChem CID 584500) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-(1-adamantyl)pentan-1-ol.

Molecular Properties

Compound Name1-(1-adamantyl)pentan-1-ol
PubChem CID584500
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-(1-adamantyl)pentan-1-ol
SMILESCCCCC(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H26O/c1-2-3-4-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14,16H,2-10H2,1H3
InChIKeySQQCNQNYQYLJHY-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-adamantyl)octan-1-ol
CID 63411073
2-(1-adamantyl)hexanal
CID 12993244
4-(1-adamantyl)nonan-5-one
CID 585196
N-[1-(1-adamantyl)ethyl]hexan-2-amine
CID 43757554
(1R)-1-(1-adamantyl)-2-bromoethanol
CID 10106600
1-(1-adamantyl)-2-bromoethanol
CID 3556633
trans-(1R,2S)-1-[(1S)-1-hydroxypentyl]-2-methylcyclopropan-1-ol
CID 131230361
4-[3-[(1S)-1-hydroxyheptyl]-1-adamantyl]phenol
CID 162770566
1-adamantyl 1-chloropentyl carbonate
CID 134880861
1-(1-adamantyl)pent-3-yn-1-ol
CID 62796233
(R)-1-adamantyl(methoxy)methanol
CID 124639055
1-(1-chloropropyl)adamantane
CID 89114762

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)pentan-1-ol?
The IUPAC name of 1-(1-adamantyl)pentan-1-ol (CID 584500) is 1-(1-adamantyl)pentan-1-ol.
What is the SMILES notation for 1-(1-adamantyl)pentan-1-ol?
The canonical SMILES for 1-(1-adamantyl)pentan-1-ol is CCCCC(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)pentan-1-ol?
The InChIKey is SQQCNQNYQYLJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-2-3-4-14(16)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14,16H,2-10H2,1H3.
What are the key properties of 1-(1-adamantyl)pentan-1-ol?
1-(1-adamantyl)pentan-1-ol has a molecular weight of 222.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)pentan-1-ol is sourced from PubChem (CID 584500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).