3,3-dimethyl-2-propan-2-ylbutan-1-ol

C9H20O — CID 21386951

IUPAC3,3-dimethyl-2-propan-2-ylbutan-1-ol
SMILESCC(C)C(CO)C(C)(C)C
InChIInChI=1S/C9H20O/c1-7(2)8(6-10)9(3,4)5/h7-8,10H,6H2,1-5H3
InChIKeyFYAGOCUTJYFMTP-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.30
Rot. Bonds2

About 3,3-dimethyl-2-propan-2-ylbutan-1-ol

3,3-dimethyl-2-propan-2-ylbutan-1-ol (PubChem CID 21386951) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 3,3-dimethyl-2-propan-2-ylbutan-1-ol.

Molecular Properties

Compound Name3,3-dimethyl-2-propan-2-ylbutan-1-ol
PubChem CID21386951
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name3,3-dimethyl-2-propan-2-ylbutan-1-ol
SMILESCC(C)C(CO)C(C)(C)C
InChIInChI=1S/C9H20O/c1-7(2)8(6-10)9(3,4)5/h7-8,10H,6H2,1-5H3
InChIKeyFYAGOCUTJYFMTP-UHFFFAOYSA-N
XLogP2.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-propan-2-ylbutan-1-ol?
The IUPAC name of 3,3-dimethyl-2-propan-2-ylbutan-1-ol (CID 21386951) is 3,3-dimethyl-2-propan-2-ylbutan-1-ol.
What is the SMILES notation for 3,3-dimethyl-2-propan-2-ylbutan-1-ol?
The canonical SMILES for 3,3-dimethyl-2-propan-2-ylbutan-1-ol is CC(C)C(CO)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-propan-2-ylbutan-1-ol?
The InChIKey is FYAGOCUTJYFMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O/c1-7(2)8(6-10)9(3,4)5/h7-8,10H,6H2,1-5H3.
What are the key properties of 3,3-dimethyl-2-propan-2-ylbutan-1-ol?
3,3-dimethyl-2-propan-2-ylbutan-1-ol has a molecular weight of 144.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-propan-2-ylbutan-1-ol is sourced from PubChem (CID 21386951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).