2-butan-2-yladamantan-1-ol

C14H24O — CID 139951013

IUPAC2-butan-2-yladamantan-1-ol
SMILESCCC(C)C1C2CC3CC(C2)CC1(O)C3
InChIInChI=1S/C14H24O/c1-3-9(2)13-12-5-10-4-11(6-12)8-14(13,15)7-10/h9-13,15H,3-8H2,1-2H3
InChIKeySSXXKBCGDRITIQ-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.22
Rot. Bonds2

About 2-butan-2-yladamantan-1-ol

2-butan-2-yladamantan-1-ol (PubChem CID 139951013) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-butan-2-yladamantan-1-ol.

Molecular Properties

Compound Name2-butan-2-yladamantan-1-ol
PubChem CID139951013
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-butan-2-yladamantan-1-ol
SMILESCCC(C)C1C2CC3CC(C2)CC1(O)C3
InChIInChI=1S/C14H24O/c1-3-9(2)13-12-5-10-4-11(6-12)8-14(13,15)7-10/h9-13,15H,3-8H2,1-2H3
InChIKeySSXXKBCGDRITIQ-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yladamantan-1-ol?
The IUPAC name of 2-butan-2-yladamantan-1-ol (CID 139951013) is 2-butan-2-yladamantan-1-ol.
What is the SMILES notation for 2-butan-2-yladamantan-1-ol?
The canonical SMILES for 2-butan-2-yladamantan-1-ol is CCC(C)C1C2CC3CC(C2)CC1(O)C3.
What is the InChIKey of 2-butan-2-yladamantan-1-ol?
The InChIKey is SSXXKBCGDRITIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-3-9(2)13-12-5-10-4-11(6-12)8-14(13,15)7-10/h9-13,15H,3-8H2,1-2H3.
What are the key properties of 2-butan-2-yladamantan-1-ol?
2-butan-2-yladamantan-1-ol has a molecular weight of 208.34 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yladamantan-1-ol is sourced from PubChem (CID 139951013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).