1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol

C17H30O2 — CID 103028317

IUPAC1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H30O2/c1-17(2,19-3)5-4-15(18)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16,18H,4-10H2,1-3H3
InChIKeyISEHHWOFOVBOKM-UHFFFAOYSA-N
MW266.42 g/mol
LogP3.62
Rot. Bonds5

About 1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol

1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103028317) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is 1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103028317
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H30O2/c1-17(2,19-3)5-4-15(18)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16,18H,4-10H2,1-3H3
InChIKeyISEHHWOFOVBOKM-UHFFFAOYSA-N
XLogP3.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol (CID 103028317) is 1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CCC(O)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is ISEHHWOFOVBOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-17(2,19-3)5-4-15(18)16-13-7-11-6-12(9-13)10-14(16)8-11/h11-16,18H,4-10H2,1-3H3.
What are the key properties of 1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol?
1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 266.42 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103028317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).