(4S,5R)-5-methyl-6-methylideneoctan-4-ol

C10H20O — CID 134931428

IUPAC(4S,5R)-5-methyl-6-methylideneoctan-4-ol
SMILESC=C(CC)[C@@H](C)[C@@H](O)CCC
InChIInChI=1S/C10H20O/c1-5-7-10(11)9(4)8(3)6-2/h9-11H,3,5-7H2,1-2,4H3/t9-,10+/m1/s1
InChIKeyXEPMLSYGEXMJHR-ZJUUUORDSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds5

About (4S,5R)-5-methyl-6-methylideneoctan-4-ol

(4S,5R)-5-methyl-6-methylideneoctan-4-ol (PubChem CID 134931428) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (4S,5R)-5-methyl-6-methylideneoctan-4-ol.

Molecular Properties

Compound Name(4S,5R)-5-methyl-6-methylideneoctan-4-ol
PubChem CID134931428
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(4S,5R)-5-methyl-6-methylideneoctan-4-ol
SMILESC=C(CC)[C@@H](C)[C@@H](O)CCC
InChIInChI=1S/C10H20O/c1-5-7-10(11)9(4)8(3)6-2/h9-11H,3,5-7H2,1-2,4H3/t9-,10+/m1/s1
InChIKeyXEPMLSYGEXMJHR-ZJUUUORDSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-methyl-6-methylideneoctan-4-ol?
The IUPAC name of (4S,5R)-5-methyl-6-methylideneoctan-4-ol (CID 134931428) is (4S,5R)-5-methyl-6-methylideneoctan-4-ol.
What is the SMILES notation for (4S,5R)-5-methyl-6-methylideneoctan-4-ol?
The canonical SMILES for (4S,5R)-5-methyl-6-methylideneoctan-4-ol is C=C(CC)[C@@H](C)[C@@H](O)CCC.
What is the InChIKey of (4S,5R)-5-methyl-6-methylideneoctan-4-ol?
The InChIKey is XEPMLSYGEXMJHR-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20O/c1-5-7-10(11)9(4)8(3)6-2/h9-11H,3,5-7H2,1-2,4H3/t9-,10+/m1/s1.
What are the key properties of (4S,5R)-5-methyl-6-methylideneoctan-4-ol?
(4S,5R)-5-methyl-6-methylideneoctan-4-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-methyl-6-methylideneoctan-4-ol is sourced from PubChem (CID 134931428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).