5-(1-methoxyethenyl)adamantan-2-ol

C13H20O2 — CID 118457316

IUPAC5-(1-methoxyethenyl)adamantan-2-ol
SMILESC=C(OC)C12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C13H20O2/c1-8(15-2)13-5-9-3-10(6-13)12(14)11(4-9)7-13/h9-12,14H,1,3-7H2,2H3
InChIKeyQFELBPDGOKPNNY-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.33
Rot. Bonds2

About 5-(1-methoxyethenyl)adamantan-2-ol

5-(1-methoxyethenyl)adamantan-2-ol (PubChem CID 118457316) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 5-(1-methoxyethenyl)adamantan-2-ol.

Molecular Properties

Compound Name5-(1-methoxyethenyl)adamantan-2-ol
PubChem CID118457316
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name5-(1-methoxyethenyl)adamantan-2-ol
SMILESC=C(OC)C12CC3CC(C1)C(O)C(C3)C2
InChIInChI=1S/C13H20O2/c1-8(15-2)13-5-9-3-10(6-13)12(14)11(4-9)7-13/h9-12,14H,1,3-7H2,2H3
InChIKeyQFELBPDGOKPNNY-UHFFFAOYSA-N
XLogP2.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-hydroxy-1-adamantyl)ethanone
CID 14147100
5-(N-hydroxy-C-methylcarbonimidoyl)adamantan-2-ol
CID 131846461
1-[1-(1-adamantyl)ethenyl]adamantane
CID 14316817
methyl 2-(adamantane-1-carbonylamino)prop-2-enoate
CID 101073434
5-(1-adamantyl)adamantan-2-ol
CID 68898703
4-methoxyadamantane-1-carboxylic acid
CID 12598764
5-bromoadamantan-2-ol
CID 12660030
5-chloroadamantan-2-ol
CID 12660028
4-amino-N-methoxyadamantane-1-carboxamide
CID 88539562
N-(4-hydroxy-1-adamantyl)acetamide
CID 14948121
5-(3-methoxy-3-oxoprop-1-en-2-yl)adamantane-1,3-dicarboxylic acid
CID 175603285
2-[(4-hydroxy-1-adamantyl)methyl]prop-2-enoic acid
CID 69415134

Frequently Asked Questions

What is the IUPAC name of 5-(1-methoxyethenyl)adamantan-2-ol?
The IUPAC name of 5-(1-methoxyethenyl)adamantan-2-ol (CID 118457316) is 5-(1-methoxyethenyl)adamantan-2-ol.
What is the SMILES notation for 5-(1-methoxyethenyl)adamantan-2-ol?
The canonical SMILES for 5-(1-methoxyethenyl)adamantan-2-ol is C=C(OC)C12CC3CC(C1)C(O)C(C3)C2.
What is the InChIKey of 5-(1-methoxyethenyl)adamantan-2-ol?
The InChIKey is QFELBPDGOKPNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-8(15-2)13-5-9-3-10(6-13)12(14)11(4-9)7-13/h9-12,14H,1,3-7H2,2H3.
What are the key properties of 5-(1-methoxyethenyl)adamantan-2-ol?
5-(1-methoxyethenyl)adamantan-2-ol has a molecular weight of 208.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methoxyethenyl)adamantan-2-ol is sourced from PubChem (CID 118457316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).