adamantane-1,3,5,7-tetrol

C10H16O4 — CID 820093

IUPACadamantane-1,3,5,7-tetrol
SMILESOC12CC3(O)CC(O)(C1)CC(O)(C2)C3
InChIInChI=1S/C10H16O4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h11-14H,1-6H2
InChIKeyCPWNSSYGNSROKX-UHFFFAOYSA-N
MW200.23 g/mol
LogP-0.71
Rot. Bonds

About adamantane-1,3,5,7-tetrol

adamantane-1,3,5,7-tetrol (PubChem CID 820093) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is adamantane-1,3,5,7-tetrol.

Molecular Properties

Compound Nameadamantane-1,3,5,7-tetrol
PubChem CID820093
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Nameadamantane-1,3,5,7-tetrol
SMILESOC12CC3(O)CC(O)(C1)CC(O)(C2)C3
InChIInChI=1S/C10H16O4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h11-14H,1-6H2
InChIKeyCPWNSSYGNSROKX-UHFFFAOYSA-N
XLogP-0.71
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of adamantane-1,3,5,7-tetrol?
The IUPAC name of adamantane-1,3,5,7-tetrol (CID 820093) is adamantane-1,3,5,7-tetrol.
What is the SMILES notation for adamantane-1,3,5,7-tetrol?
The canonical SMILES for adamantane-1,3,5,7-tetrol is OC12CC3(O)CC(O)(C1)CC(O)(C2)C3.
What is the InChIKey of adamantane-1,3,5,7-tetrol?
The InChIKey is CPWNSSYGNSROKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-7-1-8(12)4-9(13,2-7)6-10(14,3-7)5-8/h11-14H,1-6H2.
What are the key properties of adamantane-1,3,5,7-tetrol?
adamantane-1,3,5,7-tetrol has a molecular weight of 200.23 g/mol, XLogP of -0.71, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-1,3,5,7-tetrol is sourced from PubChem (CID 820093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).