adamantane;hydrate

C10H18O — CID 137498586

IUPACadamantane;hydrate
SMILESC1C2CC3CC1CC(C2)C3.O
InChIInChI=1S/C10H16.H2O/c1-7-2-9-4-8(1)5-10(3-7)6-9;/h7-10H,1-6H2;1H2
InChIKeyGOMNIPUCUILKME-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.01
Rot. Bonds

About adamantane;hydrate

adamantane;hydrate (PubChem CID 137498586) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is adamantane;hydrate.

Molecular Properties

Compound Nameadamantane;hydrate
PubChem CID137498586
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Nameadamantane;hydrate
SMILESC1C2CC3CC1CC(C2)C3.O
InChIInChI=1S/C10H16.H2O/c1-7-2-9-4-8(1)5-10(3-7)6-9;/h7-10H,1-6H2;1H2
InChIKeyGOMNIPUCUILKME-UHFFFAOYSA-N
XLogP2.01
TPSA31.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of adamantane;hydrate?
The IUPAC name of adamantane;hydrate (CID 137498586) is adamantane;hydrate.
What is the SMILES notation for adamantane;hydrate?
The canonical SMILES for adamantane;hydrate is C1C2CC3CC1CC(C2)C3.O.
What is the InChIKey of adamantane;hydrate?
The InChIKey is GOMNIPUCUILKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.H2O/c1-7-2-9-4-8(1)5-10(3-7)6-9;/h7-10H,1-6H2;1H2.
What are the key properties of adamantane;hydrate?
adamantane;hydrate has a molecular weight of 154.25 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;hydrate is sourced from PubChem (CID 137498586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).