(3S,5R)-5-methylnon-8-en-3-ol

C10H20O — CID 129386423

IUPAC(3S,5R)-5-methylnon-8-en-3-ol
SMILESC=CCC[C@@H](C)C[C@@H](O)CC
InChIInChI=1S/C10H20O/c1-4-6-7-9(3)8-10(11)5-2/h4,9-11H,1,5-8H2,2-3H3/t9-,10+/m1/s1
InChIKeyKBUOCIXRGYZBSJ-ZJUUUORDSA-N
MW156.27 g/mol
LogP2.75
Rot. Bonds6

About (3S,5R)-5-methylnon-8-en-3-ol

(3S,5R)-5-methylnon-8-en-3-ol (PubChem CID 129386423) has the molecular formula C10H20O and a molecular weight of 156.27 g/mol. Its IUPAC name is (3S,5R)-5-methylnon-8-en-3-ol.

Molecular Properties

Compound Name(3S,5R)-5-methylnon-8-en-3-ol
PubChem CID129386423
Molecular FormulaC10H20O
Molecular Weight156.27 g/mol
Exact Mass156.15
IUPAC Name(3S,5R)-5-methylnon-8-en-3-ol
SMILESC=CCC[C@@H](C)C[C@@H](O)CC
InChIInChI=1S/C10H20O/c1-4-6-7-9(3)8-10(11)5-2/h4,9-11H,1,5-8H2,2-3H3/t9-,10+/m1/s1
InChIKeyKBUOCIXRGYZBSJ-ZJUUUORDSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-methyloctan-3-ol
CID 19931017
3-methylpentadec-14-en-5-ol
CID 10823994
butane;ethane;5-methylhept-1-ene
CID 143370195
5,9-dimethyldecan-3-ol
CID 545842
(6S)-6,10-dimethylundeca-1,9-dien-4-ol
CID 11030747
6,10-dimethylundeca-1,9-dien-4-ol
CID 11019804
(3S)-3-methylhept-6-enoic acid
CID 11815469
(3S,5S)-5,9-dimethyldec-9-en-3-ol
CID 92860070
(5R)-5-methylnona-1,8-dien-3-one
CID 10582957
ethane;4-methylocta-1,7-diene
CID 144616064
(2R,3S)-hept-6-ene-2,3-diol
CID 102384670
(5S)-6-iodo-5-methylhex-1-ene
CID 14470371

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-methylnon-8-en-3-ol?
The IUPAC name of (3S,5R)-5-methylnon-8-en-3-ol (CID 129386423) is (3S,5R)-5-methylnon-8-en-3-ol.
What is the SMILES notation for (3S,5R)-5-methylnon-8-en-3-ol?
The canonical SMILES for (3S,5R)-5-methylnon-8-en-3-ol is C=CCC[C@@H](C)C[C@@H](O)CC.
What is the InChIKey of (3S,5R)-5-methylnon-8-en-3-ol?
The InChIKey is KBUOCIXRGYZBSJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H20O/c1-4-6-7-9(3)8-10(11)5-2/h4,9-11H,1,5-8H2,2-3H3/t9-,10+/m1/s1.
What are the key properties of (3S,5R)-5-methylnon-8-en-3-ol?
(3S,5R)-5-methylnon-8-en-3-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 (3S,5R)-5-methylnon-8-en-3-ol is sourced from PubChem (CID 129386423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).