(5S,7R)-3-propyladamantan-1-ol

C13H22O — CID 1225075

IUPAC(5S,7R)-3-propyladamantan-1-ol
SMILESCCCC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C13H22O/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h10-11,14H,2-9H2,1H3/t10-,11+,12?,13?
InChIKeyDASJOTIHKLXABK-MPEURRAXSA-N
MW194.32 g/mol
LogP3.12
Rot. Bonds2

About (5S,7R)-3-propyladamantan-1-ol

(5S,7R)-3-propyladamantan-1-ol (PubChem CID 1225075) has the molecular formula C13H22O and a molecular weight of 194.32 g/mol. Its IUPAC name is (5S,7R)-3-propyladamantan-1-ol.

Molecular Properties

Compound Name(5S,7R)-3-propyladamantan-1-ol
PubChem CID1225075
Molecular FormulaC13H22O
Molecular Weight194.32 g/mol
Exact Mass194.17
IUPAC Name(5S,7R)-3-propyladamantan-1-ol
SMILESCCCC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2
InChIInChI=1S/C13H22O/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h10-11,14H,2-9H2,1H3/t10-,11+,12?,13?
InChIKeyDASJOTIHKLXABK-MPEURRAXSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-butyladamantan-1-ol
CID 71257981
3,5-dipropyladamantan-1-ol
CID 71257511
3-[(5R,7R)-3-hydroxy-1-adamantyl]propanoic acid
CID 6928724
3-(2-fluoro-2-methylbutyl)adamantan-1-ol
CID 58761451
(5S,7R)-3-prop-2-enyladamantan-1-ol
CID 102058393
1-[(Z)-prop-1-enyl]-3-propyladamantane
CID 21160735
3-(chloromethoxymethyl)adamantan-1-ol
CID 58669022
3-(4-hydroxybut-2-enyl)adamantan-1-ol
CID 141155060
1-butyl-3-(3-butyl-1-adamantyl)adamantane
CID 90876469
3-(ethenoxymethyl)adamantan-1-ol
CID 134309633
(5S,7S)-3-(dimethylamino)adamantan-1-ol
CID 23314706
(5S,7R)-3-pentan-3-yladamantan-1-ol
CID 10775431

Frequently Asked Questions

What is the IUPAC name of (5S,7R)-3-propyladamantan-1-ol?
The IUPAC name of (5S,7R)-3-propyladamantan-1-ol (CID 1225075) is (5S,7R)-3-propyladamantan-1-ol.
What is the SMILES notation for (5S,7R)-3-propyladamantan-1-ol?
The canonical SMILES for (5S,7R)-3-propyladamantan-1-ol is CCCC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2.
What is the InChIKey of (5S,7R)-3-propyladamantan-1-ol?
The InChIKey is DASJOTIHKLXABK-MPEURRAXSA-N. The full InChI is InChI=1S/C13H22O/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h10-11,14H,2-9H2,1H3/t10-,11+,12?,13?.
What are the key properties of (5S,7R)-3-propyladamantan-1-ol?
(5S,7R)-3-propyladamantan-1-ol has a molecular weight of 194.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7R)-3-propyladamantan-1-ol is sourced from PubChem (CID 1225075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).