1-(1-adamantyloxy)prop-2-en-1-ol

C13H20O2 — CID 126575826

IUPAC1-(1-adamantyloxy)prop-2-en-1-ol
SMILESC=CC(O)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20O2/c1-2-12(14)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h2,9-12,14H,1,3-8H2
InChIKeyPZCOIJTXMGRCJR-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.48
Rot. Bonds3

About 1-(1-adamantyloxy)prop-2-en-1-ol

1-(1-adamantyloxy)prop-2-en-1-ol (PubChem CID 126575826) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(1-adamantyloxy)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(1-adamantyloxy)prop-2-en-1-ol
PubChem CID126575826
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name1-(1-adamantyloxy)prop-2-en-1-ol
SMILESC=CC(O)OC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H20O2/c1-2-12(14)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h2,9-12,14H,1,3-8H2
InChIKeyPZCOIJTXMGRCJR-UHFFFAOYSA-N
XLogP2.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-hepta-1,6-dien-4-yloxyadamantane
CID 67157600
1-[(2R)-3-methylbutan-2-yl]oxyadamantane
CID 71229319
1-[1-(4-ethenylphenoxy)ethoxy]adamantane
CID 59227044
(6R)-1-(1-iodoethoxy)tricyclo[4.3.1.13,8]undecane
CID 126641157
1-adamantyl ethenesulfonate
CID 20743856
1-(1-adamantyl)hex-5-en-2-ol
CID 115804707
1-adamantyl undec-10-enoate
CID 139900272
1-adamantyl prop-2-enoate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 175435402
1-(1-hydroxyprop-2-enoxy)prop-2-en-1-ol
CID 22251489
1-methoxyadamantane
CID 584854
1-(1-adamantyloxy)-3-chloropropan-2-ol
CID 14612632
1-adamantyl 2,2-difluoroacetate
CID 58225853

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyloxy)prop-2-en-1-ol?
The IUPAC name of 1-(1-adamantyloxy)prop-2-en-1-ol (CID 126575826) is 1-(1-adamantyloxy)prop-2-en-1-ol.
What is the SMILES notation for 1-(1-adamantyloxy)prop-2-en-1-ol?
The canonical SMILES for 1-(1-adamantyloxy)prop-2-en-1-ol is C=CC(O)OC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyloxy)prop-2-en-1-ol?
The InChIKey is PZCOIJTXMGRCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-12(14)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h2,9-12,14H,1,3-8H2.
What are the key properties of 1-(1-adamantyloxy)prop-2-en-1-ol?
1-(1-adamantyloxy)prop-2-en-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyloxy)prop-2-en-1-ol is sourced from PubChem (CID 126575826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).