adamantane;methanol;bis(prop-2-enoic acid)

C18H32O6 — CID 158302509

IUPACadamantane;methanol;bis(prop-2-enoic acid)
SMILESC1C2CC3CC1CC(C2)C3.C=CC(=O)O.C=CC(=O)O.CO.CO
InChIInChI=1S/C10H16.2C3H4O2.2CH4O/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-2-3(4)5;2*1-2/h7-10H,1-6H2;2*2H,1H2,(H,4,5);2*2H,1H3
InChIKeyGMQYLUJTFZHCEX-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.56
Rot. Bonds2

About adamantane;methanol;bis(prop-2-enoic acid)

adamantane;methanol;bis(prop-2-enoic acid) (PubChem CID 158302509) has the molecular formula C18H32O6 and a molecular weight of 344.45 g/mol. Its IUPAC name is adamantane;methanol;bis(prop-2-enoic acid).

Molecular Properties

Compound Nameadamantane;methanol;bis(prop-2-enoic acid)
PubChem CID158302509
Molecular FormulaC18H32O6
Molecular Weight344.45 g/mol
Exact Mass344.22
IUPAC Nameadamantane;methanol;bis(prop-2-enoic acid)
SMILESC1C2CC3CC1CC(C2)C3.C=CC(=O)O.C=CC(=O)O.CO.CO
InChIInChI=1S/C10H16.2C3H4O2.2CH4O/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-2-3(4)5;2*1-2/h7-10H,1-6H2;2*2H,1H2,(H,4,5);2*2H,1H3
InChIKeyGMQYLUJTFZHCEX-UHFFFAOYSA-N
XLogP2.56
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bicyclo[2.2.1]heptane;methanol;prop-2-enoic acid
CID 158917737
methanol;prop-2-enoic acid
CID 159043362
adamantane;(E)-but-2-enedioic acid
CID 67357767
1-azabicyclo[2.2.2]octane;prop-2-enoic acid
CID 126596403
carbonochloridic acid;prop-2-enoic acid
CID 159375670
methanethiol;prop-2-enoic acid
CID 158379466
bis(prop-1-ene);prop-2-enoic acid
CID 118194844
lutetium;tris(prop-2-enoic acid)
CID 168865611
prop-2-enoic acid;hydrochloride
CID 22354205
iron(2+);prop-2-enoic acid
CID 10290804
CID 87061462
CID 87061462
cerium;bis(prop-2-enoic acid)
CID 169316659

Frequently Asked Questions

What is the IUPAC name of adamantane;methanol;bis(prop-2-enoic acid)?
The IUPAC name of adamantane;methanol;bis(prop-2-enoic acid) (CID 158302509) is adamantane;methanol;bis(prop-2-enoic acid).
What is the SMILES notation for adamantane;methanol;bis(prop-2-enoic acid)?
The canonical SMILES for adamantane;methanol;bis(prop-2-enoic acid) is C1C2CC3CC1CC(C2)C3.C=CC(=O)O.C=CC(=O)O.CO.CO.
What is the InChIKey of adamantane;methanol;bis(prop-2-enoic acid)?
The InChIKey is GMQYLUJTFZHCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.2C3H4O2.2CH4O/c1-7-2-9-4-8(1)5-10(3-7)6-9;2*1-2-3(4)5;2*1-2/h7-10H,1-6H2;2*2H,1H2,(H,4,5);2*2H,1H3.
What are the key properties of adamantane;methanol;bis(prop-2-enoic acid)?
adamantane;methanol;bis(prop-2-enoic acid) has a molecular weight of 344.45 g/mol, XLogP of 2.56, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;methanol;bis(prop-2-enoic acid) is sourced from PubChem (CID 158302509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).