(4R)-2-methylheptan-4-ol

C8H18O — CID 12650794

IUPAC(4R)-2-methylheptan-4-ol
SMILESCCC[C@@H](O)CC(C)C
InChIInChI=1S/C8H18O/c1-4-5-8(9)6-7(2)3/h7-9H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyQXPLZEKPCGUWEM-MRVPVSSYSA-N
MW130.23 g/mol
LogP2.19
Rot. Bonds4

About (4R)-2-methylheptan-4-ol

(4R)-2-methylheptan-4-ol (PubChem CID 12650794) has the molecular formula C8H18O and a molecular weight of 130.23 g/mol. Its IUPAC name is (4R)-2-methylheptan-4-ol.

Molecular Properties

Compound Name(4R)-2-methylheptan-4-ol
PubChem CID12650794
Molecular FormulaC8H18O
Molecular Weight130.23 g/mol
Exact Mass130.14
IUPAC Name(4R)-2-methylheptan-4-ol
SMILESCCC[C@@H](O)CC(C)C
InChIInChI=1S/C8H18O/c1-4-5-8(9)6-7(2)3/h7-9H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyQXPLZEKPCGUWEM-MRVPVSSYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.23
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-methylheptan-4-ol?
The IUPAC name of (4R)-2-methylheptan-4-ol (CID 12650794) is (4R)-2-methylheptan-4-ol.
What is the SMILES notation for (4R)-2-methylheptan-4-ol?
The canonical SMILES for (4R)-2-methylheptan-4-ol is CCC[C@@H](O)CC(C)C.
What is the InChIKey of (4R)-2-methylheptan-4-ol?
The InChIKey is QXPLZEKPCGUWEM-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18O/c1-4-5-8(9)6-7(2)3/h7-9H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of (4R)-2-methylheptan-4-ol?
(4R)-2-methylheptan-4-ol has a molecular weight of 130.23 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-methylheptan-4-ol is sourced from PubChem (CID 12650794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).