1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol

C19H34O2 — CID 103028190

IUPAC1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H34O2/c1-16(2,21-5)7-6-15(20)19-10-14-8-17(3,12-19)11-18(4,9-14)13-19/h14-15,20H,6-13H2,1-5H3
InChIKeyASVQNVDXCHKJBA-UHFFFAOYSA-N
MW294.48 g/mol
LogP4.55
Rot. Bonds5

About 1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol

1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol (PubChem CID 103028190) has the molecular formula C19H34O2 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol
PubChem CID103028190
Molecular FormulaC19H34O2
Molecular Weight294.48 g/mol
Exact Mass294.26
IUPAC Name1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol
SMILESCOC(C)(C)CCC(O)C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H34O2/c1-16(2,21-5)7-6-15(20)19-10-14-8-17(3,12-19)11-18(4,9-14)13-19/h14-15,20H,6-13H2,1-5H3
InChIKeyASVQNVDXCHKJBA-UHFFFAOYSA-N
XLogP4.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol?
The IUPAC name of 1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol (CID 103028190) is 1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol.
What is the SMILES notation for 1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol?
The canonical SMILES for 1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol is COC(C)(C)CCC(O)C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol?
The InChIKey is ASVQNVDXCHKJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34O2/c1-16(2,21-5)7-6-15(20)19-10-14-8-17(3,12-19)11-18(4,9-14)13-19/h14-15,20H,6-13H2,1-5H3.
What are the key properties of 1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol?
1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol has a molecular weight of 294.48 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-adamantyl)-4-methoxy-4-methylpentan-1-ol is sourced from PubChem (CID 103028190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).