3-butyladamantan-1-ol

C14H24O — CID 71257981

IUPAC3-butyladamantan-1-ol
SMILESCCCCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C14H24O/c1-2-3-4-13-6-11-5-12(7-13)9-14(15,8-11)10-13/h11-12,15H,2-10H2,1H3
InChIKeyGSFQHLMKIMLFLH-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.51
Rot. Bonds3

About 3-butyladamantan-1-ol

3-butyladamantan-1-ol (PubChem CID 71257981) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3-butyladamantan-1-ol.

Molecular Properties

Compound Name3-butyladamantan-1-ol
PubChem CID71257981
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3-butyladamantan-1-ol
SMILESCCCCC12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C14H24O/c1-2-3-4-13-6-11-5-12(7-13)9-14(15,8-11)10-13/h11-12,15H,2-10H2,1H3
InChIKeyGSFQHLMKIMLFLH-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5S,7R)-3-propyladamantan-1-ol
CID 1225075
1-butyl-3-(3-butyl-1-adamantyl)adamantane
CID 90876469
3-[(5R,7R)-3-hydroxy-1-adamantyl]propanoic acid
CID 6928724
3,5-dipropyladamantan-1-ol
CID 71257511
3-(2-fluoro-2-methylbutyl)adamantan-1-ol
CID 58761451
1-hexyladamantane
CID 585171
(5S,7R)-3-prop-2-enyladamantan-1-ol
CID 102058393
1,3-dibutyl-5-pentyladamantane;propan-2-one
CID 178033195
3-(chloromethoxymethyl)adamantan-1-ol
CID 58669022
3-(4-hydroxybut-2-enyl)adamantan-1-ol
CID 141155060
3-(ethenoxymethyl)adamantan-1-ol
CID 134309633
(5S,7S)-3-(dimethylamino)adamantan-1-ol
CID 23314706

Frequently Asked Questions

What is the IUPAC name of 3-butyladamantan-1-ol?
The IUPAC name of 3-butyladamantan-1-ol (CID 71257981) is 3-butyladamantan-1-ol.
What is the SMILES notation for 3-butyladamantan-1-ol?
The canonical SMILES for 3-butyladamantan-1-ol is CCCCC12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 3-butyladamantan-1-ol?
The InChIKey is GSFQHLMKIMLFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-2-3-4-13-6-11-5-12(7-13)9-14(15,8-11)10-13/h11-12,15H,2-10H2,1H3.
What are the key properties of 3-butyladamantan-1-ol?
3-butyladamantan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyladamantan-1-ol is sourced from PubChem (CID 71257981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).