2,2,3,4,4-pentamethylpentan-3-ol

C10H22O — CID 6453655

IUPAC2,2,3,4,4-pentamethylpentan-3-ol
SMILESCC(C)(C)C(C)(O)C(C)(C)C
InChIInChI=1S/C10H22O/c1-8(2,3)10(7,11)9(4,5)6/h11H,1-7H3
InChIKeyUYFZQUABCZILAI-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds

About 2,2,3,4,4-pentamethylpentan-3-ol

2,2,3,4,4-pentamethylpentan-3-ol (PubChem CID 6453655) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2,2,3,4,4-pentamethylpentan-3-ol.

Molecular Properties

Compound Name2,2,3,4,4-pentamethylpentan-3-ol
PubChem CID6453655
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2,2,3,4,4-pentamethylpentan-3-ol
SMILESCC(C)(C)C(C)(O)C(C)(C)C
InChIInChI=1S/C10H22O/c1-8(2,3)10(7,11)9(4,5)6/h11H,1-7H3
InChIKeyUYFZQUABCZILAI-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4-pentamethylpentan-3-ol?
The IUPAC name of 2,2,3,4,4-pentamethylpentan-3-ol (CID 6453655) is 2,2,3,4,4-pentamethylpentan-3-ol.
What is the SMILES notation for 2,2,3,4,4-pentamethylpentan-3-ol?
The canonical SMILES for 2,2,3,4,4-pentamethylpentan-3-ol is CC(C)(C)C(C)(O)C(C)(C)C.
What is the InChIKey of 2,2,3,4,4-pentamethylpentan-3-ol?
The InChIKey is UYFZQUABCZILAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-8(2,3)10(7,11)9(4,5)6/h11H,1-7H3.
What are the key properties of 2,2,3,4,4-pentamethylpentan-3-ol?
2,2,3,4,4-pentamethylpentan-3-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4-pentamethylpentan-3-ol is sourced from PubChem (CID 6453655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).