6-pentyladamantane-1,3,5-triol

C15H26O3 — CID 139994697

IUPAC6-pentyladamantane-1,3,5-triol
SMILESCCCCCC1C2CC3(O)CC(O)(C2)CC1(O)C3
InChIInChI=1S/C15H26O3/c1-2-3-4-5-12-11-6-13(16)8-14(17,7-11)10-15(12,18)9-13/h11-12,16-18H,2-10H2,1H3
InChIKeyUQKARMSUZKCSGD-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.98
Rot. Bonds4

About 6-pentyladamantane-1,3,5-triol

6-pentyladamantane-1,3,5-triol (PubChem CID 139994697) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 6-pentyladamantane-1,3,5-triol.

Molecular Properties

Compound Name6-pentyladamantane-1,3,5-triol
PubChem CID139994697
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name6-pentyladamantane-1,3,5-triol
SMILESCCCCCC1C2CC3(O)CC(O)(C2)CC1(O)C3
InChIInChI=1S/C15H26O3/c1-2-3-4-5-12-11-6-13(16)8-14(17,7-11)10-15(12,18)9-13/h11-12,16-18H,2-10H2,1H3
InChIKeyUQKARMSUZKCSGD-UHFFFAOYSA-N
XLogP1.98
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-decyladamantane-1,3-diol
CID 139994712
1-methyl-2-pentylcyclopropan-1-ol
CID 15701982
1-methyl-2-pentylbicyclo[1.1.0]butane
CID 90877052
cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol
CID 14921306
hexane;1,3,5-trimethylcyclohexane-1,3,5-triol
CID 175548282
3-ethyl-1,1-dimethyl-2-nonylcyclobutane
CID 174441233
(6S)-6-(5-chloropentyl)-3-ethyl-3-phenylbicyclo[3.1.1]heptan-1-ol
CID 166985218
2,6-dihexylspiro[3.3]heptane
CID 58679549
1,1-dimethyl-2-octylcyclopropane
CID 15329257
(5S,6R)-5-heptyl-6-octyloxan-2-ol
CID 23401616
cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol
CID 102019528
3,5-dipropyladamantan-1-ol
CID 71257511

Frequently Asked Questions

What is the IUPAC name of 6-pentyladamantane-1,3,5-triol?
The IUPAC name of 6-pentyladamantane-1,3,5-triol (CID 139994697) is 6-pentyladamantane-1,3,5-triol.
What is the SMILES notation for 6-pentyladamantane-1,3,5-triol?
The canonical SMILES for 6-pentyladamantane-1,3,5-triol is CCCCCC1C2CC3(O)CC(O)(C2)CC1(O)C3.
What is the InChIKey of 6-pentyladamantane-1,3,5-triol?
The InChIKey is UQKARMSUZKCSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-2-3-4-5-12-11-6-13(16)8-14(17,7-11)10-15(12,18)9-13/h11-12,16-18H,2-10H2,1H3.
What are the key properties of 6-pentyladamantane-1,3,5-triol?
6-pentyladamantane-1,3,5-triol has a molecular weight of 254.37 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyladamantane-1,3,5-triol is sourced from PubChem (CID 139994697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).