Dispiro[adamantane-2,2'-[1,3]dioxolane-4',1''-cyclohexane]-3''-ol

C17H26O3 — CID 119093800

IUPAC—
SMILESOC1CCCC2(COC3(O2)C2CC4CC(C2)CC3C4)C1
InChIInChI=1S/C17H26O3/c18-15-2-1-3-16(9-15)10-19-17(20-16)13-5-11-4-12(7-13)8-14(17)6-11/h11-15,18H,1-10H2
InChIKeyNMRBECSDMRTJKJ-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.86
Rot. Bonds

About Dispiro[adamantane-2,2'-[1,3]dioxolane-4',1''-cyclohexane]-3''-ol

Dispiro[adamantane-2,2'-[1,3]dioxolane-4',1''-cyclohexane]-3''-ol (PubChem CID 119093800) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol.

Molecular Properties

Compound NameDispiro[adamantane-2,2'-[1,3]dioxolane-4',1''-cyclohexane]-3''-ol
PubChem CID119093800
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name—
SMILESOC1CCCC2(COC3(O2)C2CC4CC(C2)CC3C4)C1
InChIInChI=1S/C17H26O3/c18-15-2-1-3-16(9-15)10-19-17(20-16)13-5-11-4-12(7-13)8-14(17)6-11/h11-15,18H,1-10H2
InChIKeyNMRBECSDMRTJKJ-UHFFFAOYSA-N
XLogP2.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of Dispiro[adamantane-2,2'-[1,3]dioxolane-4',1''-cyclohexane]-3''-ol?
The IUPAC name of Dispiro[adamantane-2,2'-[1,3]dioxolane-4',1''-cyclohexane]-3''-ol (CID 119093800) is not available.
What is the SMILES notation for Dispiro[adamantane-2,2'-[1,3]dioxolane-4',1''-cyclohexane]-3''-ol?
The canonical SMILES for Dispiro[adamantane-2,2'-[1,3]dioxolane-4',1''-cyclohexane]-3''-ol is OC1CCCC2(COC3(O2)C2CC4CC(C2)CC3C4)C1.
What is the InChIKey of Dispiro[adamantane-2,2'-[1,3]dioxolane-4',1''-cyclohexane]-3''-ol?
The InChIKey is NMRBECSDMRTJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c18-15-2-1-3-16(9-15)10-19-17(20-16)13-5-11-4-12(7-13)8-14(17)6-11/h11-15,18H,1-10H2.
What are the key properties of Dispiro[adamantane-2,2'-[1,3]dioxolane-4',1''-cyclohexane]-3''-ol?
Dispiro[adamantane-2,2'-[1,3]dioxolane-4',1''-cyclohexane]-3''-ol has a molecular weight of 278.39 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Dispiro[adamantane-2,2'-[1,3]dioxolane-4',1''-cyclohexane]-3''-ol is sourced from PubChem (CID 119093800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).