2-(1-adamantyl)-3-ethylpentan-2-ol

C17H30O — CID 18323328

IUPAC2-(1-adamantyl)-3-ethylpentan-2-ol
SMILESCCC(CC)C(C)(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30O/c1-4-15(5-2)16(3,18)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15,18H,4-11H2,1-3H3
InChIKeyNVRUKOVZDSSENR-UHFFFAOYSA-N
MW250.43 g/mol
LogP4.39
Rot. Bonds4

About 2-(1-adamantyl)-3-ethylpentan-2-ol

2-(1-adamantyl)-3-ethylpentan-2-ol (PubChem CID 18323328) has the molecular formula C17H30O and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(1-adamantyl)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name2-(1-adamantyl)-3-ethylpentan-2-ol
PubChem CID18323328
Molecular FormulaC17H30O
Molecular Weight250.43 g/mol
Exact Mass250.23
IUPAC Name2-(1-adamantyl)-3-ethylpentan-2-ol
SMILESCCC(CC)C(C)(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H30O/c1-4-15(5-2)16(3,18)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15,18H,4-11H2,1-3H3
InChIKeyNVRUKOVZDSSENR-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 3916017
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2-(1-adamantyl)butan-2-yl 2-iodobutanoate
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2-(1-adamantyl)propan-2-yl 2-methylbutanoate
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(1R)-1-[2-(1-adamantyl)propan-2-yloxy]-2,2-dimethylbutan-1-ol
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2-(1-adamantyl)propan-2-yl methyl carbonate
CID 118343727
acetic acid;1-tert-butyladamantane
CID 66772325
1-(1-adamantyl)-1-(1-bicyclo[2.2.1]heptanyl)-2,2-dimethylpropan-1-ol
CID 15732228
2-(1-adamantyl)hexan-2-yl 2-methylbutanoate
CID 58927090
CID 174148306
CID 174148306
1-[1-(1-adamantyl)-1-iodobutyl]adamantane
CID 87620474

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-3-ethylpentan-2-ol?
The IUPAC name of 2-(1-adamantyl)-3-ethylpentan-2-ol (CID 18323328) is 2-(1-adamantyl)-3-ethylpentan-2-ol.
What is the SMILES notation for 2-(1-adamantyl)-3-ethylpentan-2-ol?
The canonical SMILES for 2-(1-adamantyl)-3-ethylpentan-2-ol is CCC(CC)C(C)(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-3-ethylpentan-2-ol?
The InChIKey is NVRUKOVZDSSENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O/c1-4-15(5-2)16(3,18)17-9-12-6-13(10-17)8-14(7-12)11-17/h12-15,18H,4-11H2,1-3H3.
What are the key properties of 2-(1-adamantyl)-3-ethylpentan-2-ol?
2-(1-adamantyl)-3-ethylpentan-2-ol has a molecular weight of 250.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-3-ethylpentan-2-ol is sourced from PubChem (CID 18323328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).