(3R,4R)-3-methylnon-1-en-4-ol

C10H20O — CID 12703980

IUPAC(3R,4R)-3-methylnon-1-en-4-ol
SMILESC=C[C@@H](C)[C@H](O)CCCCC
InChIInChI=1S/C10H20O/c1-4-6-7-8-10(11)9(3)5-2/h5,9-11H,2,4,6-8H2,1,3H3/t9-,10-/m1/s1
InChIKeyXSWXPRDMNKCTMJ-NXEZZACHSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds6

About (3R,4R)-3-methylnon-1-en-4-ol

(3R,4R)-3-methylnon-1-en-4-ol (PubChem CID 12703980) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (3R,4R)-3-methylnon-1-en-4-ol.

Molecular Properties

Compound Name(3R,4R)-3-methylnon-1-en-4-ol
PubChem CID12703980
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(3R,4R)-3-methylnon-1-en-4-ol
SMILESC=C[C@@H](C)[C@H](O)CCCCC
InChIInChI=1S/C10H20O/c1-4-6-7-8-10(11)9(3)5-2/h5,9-11H,2,4,6-8H2,1,3H3/t9-,10-/m1/s1
InChIKeyXSWXPRDMNKCTMJ-NXEZZACHSA-N
XLogP2.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-methylnon-1-en-4-ol?
The IUPAC name of (3R,4R)-3-methylnon-1-en-4-ol (CID 12703980) is (3R,4R)-3-methylnon-1-en-4-ol.
What is the SMILES notation for (3R,4R)-3-methylnon-1-en-4-ol?
The canonical SMILES for (3R,4R)-3-methylnon-1-en-4-ol is C=C[C@@H](C)[C@H](O)CCCCC.
What is the InChIKey of (3R,4R)-3-methylnon-1-en-4-ol?
The InChIKey is XSWXPRDMNKCTMJ-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20O/c1-4-6-7-8-10(11)9(3)5-2/h5,9-11H,2,4,6-8H2,1,3H3/t9-,10-/m1/s1.
What are the key properties of (3R,4R)-3-methylnon-1-en-4-ol?
(3R,4R)-3-methylnon-1-en-4-ol has a molecular weight of 156.27 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-methylnon-1-en-4-ol is sourced from PubChem (CID 12703980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).