(3R,4S,5E)-3-methylnona-1,5-dien-4-ol

C10H18O — CID 13180952

IUPAC(3R,4S,5E)-3-methylnona-1,5-dien-4-ol
SMILESC=C[C@@H](C)[C@@H](O)/C=C/CCC
InChIInChI=1S/C10H18O/c1-4-6-7-8-10(11)9(3)5-2/h5,7-11H,2,4,6H2,1,3H3/b8-7+/t9-,10+/m1/s1
InChIKeyXRKYXUAJVIKWKG-PSFRMBJNSA-N
MW154.25 g/mol
LogP2.53
Rot. Bonds5

About (3R,4S,5E)-3-methylnona-1,5-dien-4-ol

(3R,4S,5E)-3-methylnona-1,5-dien-4-ol (PubChem CID 13180952) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is (3R,4S,5E)-3-methylnona-1,5-dien-4-ol.

Molecular Properties

Compound Name(3R,4S,5E)-3-methylnona-1,5-dien-4-ol
PubChem CID13180952
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name(3R,4S,5E)-3-methylnona-1,5-dien-4-ol
SMILESC=C[C@@H](C)[C@@H](O)/C=C/CCC
InChIInChI=1S/C10H18O/c1-4-6-7-8-10(11)9(3)5-2/h5,7-11H,2,4,6H2,1,3H3/b8-7+/t9-,10+/m1/s1
InChIKeyXRKYXUAJVIKWKG-PSFRMBJNSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.53
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 (3R,4S,5E)-3-methylnona-1,5-dien-4-ol?
The IUPAC name of (3R,4S,5E)-3-methylnona-1,5-dien-4-ol (CID 13180952) is (3R,4S,5E)-3-methylnona-1,5-dien-4-ol.
What is the SMILES notation for (3R,4S,5E)-3-methylnona-1,5-dien-4-ol?
The canonical SMILES for (3R,4S,5E)-3-methylnona-1,5-dien-4-ol is C=C[C@@H](C)[C@@H](O)/C=C/CCC.
What is the InChIKey of (3R,4S,5E)-3-methylnona-1,5-dien-4-ol?
The InChIKey is XRKYXUAJVIKWKG-PSFRMBJNSA-N. The full InChI is InChI=1S/C10H18O/c1-4-6-7-8-10(11)9(3)5-2/h5,7-11H,2,4,6H2,1,3H3/b8-7+/t9-,10+/m1/s1.
What are the key properties of (3R,4S,5E)-3-methylnona-1,5-dien-4-ol?
(3R,4S,5E)-3-methylnona-1,5-dien-4-ol has a molecular weight of 154.25 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5E)-3-methylnona-1,5-dien-4-ol is sourced from PubChem (CID 13180952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).