carbonic acid;1-(2-ethoxyethyl)adamantane

C15H26O4 — CID 70179289

IUPACcarbonic acid;1-(2-ethoxyethyl)adamantane
SMILESCCOCCC12CC3CC(CC(C3)C1)C2.O=C(O)O
InChIInChI=1S/C14H24O.CH2O3/c1-2-15-4-3-14-8-11-5-12(9-14)7-13(6-11)10-14;2-1(3)4/h11-13H,2-10H2,1H3;(H2,2,3,4)
InChIKeyHCWQWDUASDMEGS-UHFFFAOYSA-N
MW270.37 g/mol
LogP3.85
Rot. Bonds4

About carbonic acid;1-(2-ethoxyethyl)adamantane

carbonic acid;1-(2-ethoxyethyl)adamantane (PubChem CID 70179289) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is carbonic acid;1-(2-ethoxyethyl)adamantane.

Molecular Properties

Compound Namecarbonic acid;1-(2-ethoxyethyl)adamantane
PubChem CID70179289
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Namecarbonic acid;1-(2-ethoxyethyl)adamantane
SMILESCCOCCC12CC3CC(CC(C3)C1)C2.O=C(O)O
InChIInChI=1S/C14H24O.CH2O3/c1-2-15-4-3-14-8-11-5-12(9-14)7-13(6-11)10-14;2-1(3)4/h11-13H,2-10H2,1H3;(H2,2,3,4)
InChIKeyHCWQWDUASDMEGS-UHFFFAOYSA-N
XLogP3.85
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.85
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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Frequently Asked Questions

What is the IUPAC name of carbonic acid;1-(2-ethoxyethyl)adamantane?
The IUPAC name of carbonic acid;1-(2-ethoxyethyl)adamantane (CID 70179289) is carbonic acid;1-(2-ethoxyethyl)adamantane.
What is the SMILES notation for carbonic acid;1-(2-ethoxyethyl)adamantane?
The canonical SMILES for carbonic acid;1-(2-ethoxyethyl)adamantane is CCOCCC12CC3CC(CC(C3)C1)C2.O=C(O)O.
What is the InChIKey of carbonic acid;1-(2-ethoxyethyl)adamantane?
The InChIKey is HCWQWDUASDMEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O.CH2O3/c1-2-15-4-3-14-8-11-5-12(9-14)7-13(6-11)10-14;2-1(3)4/h11-13H,2-10H2,1H3;(H2,2,3,4).
What are the key properties of carbonic acid;1-(2-ethoxyethyl)adamantane?
carbonic acid;1-(2-ethoxyethyl)adamantane has a molecular weight of 270.37 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;1-(2-ethoxyethyl)adamantane is sourced from PubChem (CID 70179289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).