2,2,5-trimethylheptan-4-ol

C10H22O — CID 53428756

IUPAC2,2,5-trimethylheptan-4-ol
SMILESCCC(C)C(O)CC(C)(C)C
InChIInChI=1S/C10H22O/c1-6-8(2)9(11)7-10(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyJHHGGYCQTXZCTL-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds3

About 2,2,5-trimethylheptan-4-ol

2,2,5-trimethylheptan-4-ol (PubChem CID 53428756) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 2,2,5-trimethylheptan-4-ol.

Molecular Properties

Compound Name2,2,5-trimethylheptan-4-ol
PubChem CID53428756
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name2,2,5-trimethylheptan-4-ol
SMILESCCC(C)C(O)CC(C)(C)C
InChIInChI=1S/C10H22O/c1-6-8(2)9(11)7-10(3,4)5/h8-9,11H,6-7H2,1-5H3
InChIKeyJHHGGYCQTXZCTL-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 2,2,5-trimethylheptan-4-ol?
The IUPAC name of 2,2,5-trimethylheptan-4-ol (CID 53428756) is 2,2,5-trimethylheptan-4-ol.
What is the SMILES notation for 2,2,5-trimethylheptan-4-ol?
The canonical SMILES for 2,2,5-trimethylheptan-4-ol is CCC(C)C(O)CC(C)(C)C.
What is the InChIKey of 2,2,5-trimethylheptan-4-ol?
The InChIKey is JHHGGYCQTXZCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-6-8(2)9(11)7-10(3,4)5/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 2,2,5-trimethylheptan-4-ol?
2,2,5-trimethylheptan-4-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethylheptan-4-ol is sourced from PubChem (CID 53428756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).