5-methyl-2-propan-2-ylheptan-1-ol

C11H24O — CID 545941

IUPAC5-methyl-2-propan-2-ylheptan-1-ol
SMILESCCC(C)CCC(CO)C(C)C
InChIInChI=1S/C11H24O/c1-5-10(4)6-7-11(8-12)9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyQKPITXQYXIOHTB-UHFFFAOYSA-N
MW172.31 g/mol
LogP3.08
Rot. Bonds6

About 5-methyl-2-propan-2-ylheptan-1-ol

5-methyl-2-propan-2-ylheptan-1-ol (PubChem CID 545941) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is 5-methyl-2-propan-2-ylheptan-1-ol.

Molecular Properties

Compound Name5-methyl-2-propan-2-ylheptan-1-ol
PubChem CID545941
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name5-methyl-2-propan-2-ylheptan-1-ol
SMILESCCC(C)CCC(CO)C(C)C
InChIInChI=1S/C11H24O/c1-5-10(4)6-7-11(8-12)9(2)3/h9-12H,5-8H2,1-4H3
InChIKeyQKPITXQYXIOHTB-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-ylheptan-1-ol?
The IUPAC name of 5-methyl-2-propan-2-ylheptan-1-ol (CID 545941) is 5-methyl-2-propan-2-ylheptan-1-ol.
What is the SMILES notation for 5-methyl-2-propan-2-ylheptan-1-ol?
The canonical SMILES for 5-methyl-2-propan-2-ylheptan-1-ol is CCC(C)CCC(CO)C(C)C.
What is the InChIKey of 5-methyl-2-propan-2-ylheptan-1-ol?
The InChIKey is QKPITXQYXIOHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O/c1-5-10(4)6-7-11(8-12)9(2)3/h9-12H,5-8H2,1-4H3.
What are the key properties of 5-methyl-2-propan-2-ylheptan-1-ol?
5-methyl-2-propan-2-ylheptan-1-ol has a molecular weight of 172.31 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-ylheptan-1-ol is sourced from PubChem (CID 545941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).