6-decyladamantane-1,3-diol

C20H36O2 — CID 139994712

IUPAC6-decyladamantane-1,3-diol
SMILESCCCCCCCCCCC1C2CC3(O)CC1CC(O)(C2)C3
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-18-16-11-19(21)13-17(18)14-20(22,12-16)15-19/h16-18,21-22H,2-15H2,1H3
InChIKeyVSIJJWKKXOELSL-UHFFFAOYSA-N
MW308.51 g/mol
LogP4.82
Rot. Bonds9

About 6-decyladamantane-1,3-diol

6-decyladamantane-1,3-diol (PubChem CID 139994712) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is 6-decyladamantane-1,3-diol.

Molecular Properties

Compound Name6-decyladamantane-1,3-diol
PubChem CID139994712
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name6-decyladamantane-1,3-diol
SMILESCCCCCCCCCCC1C2CC3(O)CC1CC(O)(C2)C3
InChIInChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-18-16-11-19(21)13-17(18)14-20(22,12-16)15-19/h16-18,21-22H,2-15H2,1H3
InChIKeyVSIJJWKKXOELSL-UHFFFAOYSA-N
XLogP4.82
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-methyl-2-pentylcyclopropan-1-ol
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CID 163304158
3-hexadecyl-1-sulfanylcyclopentan-1-ol
CID 151093273
2-decylbicyclo[1.1.0]butane
CID 123632675
cis-(1S,2S)-1,2-dihexylcyclopropan-1-ol
CID 14921306
2,6-dihexylspiro[3.3]heptane
CID 58679549
1,1-dimethyl-2-octylcyclopropane
CID 15329257
cis-(1R,2S)-1-ethoxy-2-hexylcyclopropan-1-ol
CID 102019528
1-heptyl-2,3,4,5-tetramethylcyclopentane
CID 59076832
1,1-dichloro-2-octylcyclopropane
CID 10799099
3-hexadecyloxirane-2,2-diol
CID 18949694

Frequently Asked Questions

What is the IUPAC name of 6-decyladamantane-1,3-diol?
The IUPAC name of 6-decyladamantane-1,3-diol (CID 139994712) is 6-decyladamantane-1,3-diol.
What is the SMILES notation for 6-decyladamantane-1,3-diol?
The canonical SMILES for 6-decyladamantane-1,3-diol is CCCCCCCCCCC1C2CC3(O)CC1CC(O)(C2)C3.
What is the InChIKey of 6-decyladamantane-1,3-diol?
The InChIKey is VSIJJWKKXOELSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O2/c1-2-3-4-5-6-7-8-9-10-18-16-11-19(21)13-17(18)14-20(22,12-16)15-19/h16-18,21-22H,2-15H2,1H3.
What are the key properties of 6-decyladamantane-1,3-diol?
6-decyladamantane-1,3-diol has a molecular weight of 308.51 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-decyladamantane-1,3-diol is sourced from PubChem (CID 139994712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).