[(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate

C19H28O3 — CID 22895697

IUPAC[(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate
SMILESO=C(O/C=C/OC1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28O3/c20-18(22-7-6-21-17-4-2-1-3-5-17)19-11-14-8-15(12-19)10-16(9-14)13-19/h6-7,14-17H,1-5,8-13H2/b7-6+
InChIKeyOONCDTFGRCAKFG-VOTSOKGWSA-N
MW304.43 g/mol
LogP4.57
Rot. Bonds4

About [(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate

[(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate (PubChem CID 22895697) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is [(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate.

Molecular Properties

Compound Name[(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate
PubChem CID22895697
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name[(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate
SMILESO=C(O/C=C/OC1CCCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H28O3/c20-18(22-7-6-21-17-4-2-1-3-5-17)19-11-14-8-15(12-19)10-16(9-14)13-19/h6-7,14-17H,1-5,8-13H2/b7-6+
InChIKeyOONCDTFGRCAKFG-VOTSOKGWSA-N
XLogP4.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl (3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 102239853
[2-(cyclooctylamino)-2-oxoethyl] adamantane-1-carboxylate
CID 23761708
oxan-2-yl adamantane-1-carboxylate
CID 22723774
cyclononyl formate
CID 87065625
[1-(cyclohexylamino)-1-oxopropan-2-yl] adamantane-1-carboxylate
CID 5022944
2-O-(1-adamantyl) 1-O-cyclohexyl oxalate
CID 57291435
1-adamantyl-[2,3-bis(adamantane-1-carbonyl)cyclopropyl]methanone
CID 10929489
(cycloheptylideneamino) adamantane-1-carboxylate
CID 89381800
1-adamantyl adamantane-1-carboperoxoate
CID 10969590
3-cyclohexyl-2,2-difluoro-3-(5-oxatricyclo[5.3.1.13,9]dodecane-1-carbonyloxy)propanoic acid
CID 167031708
[(E)-prop-1-enoxy]cyclododecane
CID 5374044
[4-(adamantane-1-carbonyloxy)-1,4-dimethylcyclohexyl] adamantane-1-carboxylate
CID 118563493

Frequently Asked Questions

What is the IUPAC name of [(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate?
The IUPAC name of [(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate (CID 22895697) is [(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate.
What is the SMILES notation for [(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate?
The canonical SMILES for [(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate is O=C(O/C=C/OC1CCCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of [(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate?
The InChIKey is OONCDTFGRCAKFG-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H28O3/c20-18(22-7-6-21-17-4-2-1-3-5-17)19-11-14-8-15(12-19)10-16(9-14)13-19/h6-7,14-17H,1-5,8-13H2/b7-6+.
What are the key properties of [(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate?
[(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate has a molecular weight of 304.43 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-cyclohexyloxyethenyl] adamantane-1-carboxylate is sourced from PubChem (CID 22895697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).