3,5,5-trimethylheptan-2-ol

C10H22O — CID 71323588

IUPAC3,5,5-trimethylheptan-2-ol
SMILESCCC(C)(C)CC(C)C(C)O
InChIInChI=1S/C10H22O/c1-6-10(4,5)7-8(2)9(3)11/h8-9,11H,6-7H2,1-5H3
InChIKeyIEXGNNOLSDXMTQ-UHFFFAOYSA-N
MW158.28 g/mol
LogP2.83
Rot. Bonds4

About 3,5,5-trimethylheptan-2-ol

3,5,5-trimethylheptan-2-ol (PubChem CID 71323588) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is 3,5,5-trimethylheptan-2-ol.

Molecular Properties

Compound Name3,5,5-trimethylheptan-2-ol
PubChem CID71323588
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name3,5,5-trimethylheptan-2-ol
SMILESCCC(C)(C)CC(C)C(C)O
InChIInChI=1S/C10H22O/c1-6-10(4,5)7-8(2)9(3)11/h8-9,11H,6-7H2,1-5H3
InChIKeyIEXGNNOLSDXMTQ-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 3,5,5-trimethylheptan-2-ol?
The IUPAC name of 3,5,5-trimethylheptan-2-ol (CID 71323588) is 3,5,5-trimethylheptan-2-ol.
What is the SMILES notation for 3,5,5-trimethylheptan-2-ol?
The canonical SMILES for 3,5,5-trimethylheptan-2-ol is CCC(C)(C)CC(C)C(C)O.
What is the InChIKey of 3,5,5-trimethylheptan-2-ol?
The InChIKey is IEXGNNOLSDXMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O/c1-6-10(4,5)7-8(2)9(3)11/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 3,5,5-trimethylheptan-2-ol?
3,5,5-trimethylheptan-2-ol has a molecular weight of 158.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethylheptan-2-ol is sourced from PubChem (CID 71323588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).