adamantane-2,4-diol;propan-2-yl formate

C14H24O4 — CID 175207734

IUPACadamantane-2,4-diol;propan-2-yl formate
SMILESCC(C)OC=O.OC1C2CC3CC(C2)C(O)C1C3
InChIInChI=1S/C10H16O2.C4H8O2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5;1-4(2)6-3-5/h5-12H,1-4H2;3-4H,1-2H3
InChIKeyULGGFFBIDNTXCG-UHFFFAOYSA-N
MW256.34 g/mol
LogP1.34
Rot. Bonds2

About adamantane-2,4-diol;propan-2-yl formate

adamantane-2,4-diol;propan-2-yl formate (PubChem CID 175207734) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is adamantane-2,4-diol;propan-2-yl formate.

Molecular Properties

Compound Nameadamantane-2,4-diol;propan-2-yl formate
PubChem CID175207734
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nameadamantane-2,4-diol;propan-2-yl formate
SMILESCC(C)OC=O.OC1C2CC3CC(C2)C(O)C1C3
InChIInChI=1S/C10H16O2.C4H8O2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5;1-4(2)6-3-5/h5-12H,1-4H2;3-4H,1-2H3
InChIKeyULGGFFBIDNTXCG-UHFFFAOYSA-N
XLogP1.34
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of adamantane-2,4-diol;propan-2-yl formate?
The IUPAC name of adamantane-2,4-diol;propan-2-yl formate (CID 175207734) is adamantane-2,4-diol;propan-2-yl formate.
What is the SMILES notation for adamantane-2,4-diol;propan-2-yl formate?
The canonical SMILES for adamantane-2,4-diol;propan-2-yl formate is CC(C)OC=O.OC1C2CC3CC(C2)C(O)C1C3.
What is the InChIKey of adamantane-2,4-diol;propan-2-yl formate?
The InChIKey is ULGGFFBIDNTXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.C4H8O2/c11-9-6-1-5-2-7(4-6)10(12)8(9)3-5;1-4(2)6-3-5/h5-12H,1-4H2;3-4H,1-2H3.
What are the key properties of adamantane-2,4-diol;propan-2-yl formate?
adamantane-2,4-diol;propan-2-yl formate has a molecular weight of 256.34 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane-2,4-diol;propan-2-yl formate is sourced from PubChem (CID 175207734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).