(4S,5R)-5-propan-2-yloctan-4-ol

C11H24O — CID 59911289

IUPAC(4S,5R)-5-propan-2-yloctan-4-ol
SMILESCCC[C@H](C(C)C)[C@@H](O)CCC
InChIInChI=1S/C11H24O/c1-5-7-10(9(3)4)11(12)8-6-2/h9-12H,5-8H2,1-4H3/t10-,11+/m1/s1
InChIKeyZDHOXKUQZMUMNV-MNOVXSKESA-N
MW172.31 g/mol
LogP3.22
Rot. Bonds6

About (4S,5R)-5-propan-2-yloctan-4-ol

(4S,5R)-5-propan-2-yloctan-4-ol (PubChem CID 59911289) has the molecular formula C11H24O and a molecular weight of 172.31 g/mol. Its IUPAC name is (4S,5R)-5-propan-2-yloctan-4-ol.

Molecular Properties

Compound Name(4S,5R)-5-propan-2-yloctan-4-ol
PubChem CID59911289
Molecular FormulaC11H24O
Molecular Weight172.31 g/mol
Exact Mass172.18
IUPAC Name(4S,5R)-5-propan-2-yloctan-4-ol
SMILESCCC[C@H](C(C)C)[C@@H](O)CCC
InChIInChI=1S/C11H24O/c1-5-7-10(9(3)4)11(12)8-6-2/h9-12H,5-8H2,1-4H3/t10-,11+/m1/s1
InChIKeyZDHOXKUQZMUMNV-MNOVXSKESA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-propan-2-yloctan-4-ol?
The IUPAC name of (4S,5R)-5-propan-2-yloctan-4-ol (CID 59911289) is (4S,5R)-5-propan-2-yloctan-4-ol.
What is the SMILES notation for (4S,5R)-5-propan-2-yloctan-4-ol?
The canonical SMILES for (4S,5R)-5-propan-2-yloctan-4-ol is CCC[C@H](C(C)C)[C@@H](O)CCC.
What is the InChIKey of (4S,5R)-5-propan-2-yloctan-4-ol?
The InChIKey is ZDHOXKUQZMUMNV-MNOVXSKESA-N. The full InChI is InChI=1S/C11H24O/c1-5-7-10(9(3)4)11(12)8-6-2/h9-12H,5-8H2,1-4H3/t10-,11+/m1/s1.
What are the key properties of (4S,5R)-5-propan-2-yloctan-4-ol?
(4S,5R)-5-propan-2-yloctan-4-ol has a molecular weight of 172.31 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-propan-2-yloctan-4-ol is sourced from PubChem (CID 59911289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).