(E)-5-methyloct-3-en-2-ol

C9H18O — CID 87272942

IUPAC(E)-5-methyloct-3-en-2-ol
SMILESCCCC(C)/C=C/C(C)O
InChIInChI=1S/C9H18O/c1-4-5-8(2)6-7-9(3)10/h6-10H,4-5H2,1-3H3/b7-6+
InChIKeyNADBFXMYXRNYQJ-VOTSOKGWSA-N
MW142.24 g/mol
LogP2.36
Rot. Bonds4

About (E)-5-methyloct-3-en-2-ol

(E)-5-methyloct-3-en-2-ol (PubChem CID 87272942) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-5-methyloct-3-en-2-ol.

Molecular Properties

Compound Name(E)-5-methyloct-3-en-2-ol
PubChem CID87272942
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-5-methyloct-3-en-2-ol
SMILESCCCC(C)/C=C/C(C)O
InChIInChI=1S/C9H18O/c1-4-5-8(2)6-7-9(3)10/h6-10H,4-5H2,1-3H3/b7-6+
InChIKeyNADBFXMYXRNYQJ-VOTSOKGWSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.36
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

(Z)-4-methylhept-2-ene
CID 5352649
(E)-3-methylhex-1-ene-1-thiol
CID 88973793
(6R)-6-methylnon-4-ene
CID 175484589
4,7,10,10-tetramethylundec-5-ene
CID 123457792
(2E,4Z)-6-methylnona-2,4-dien-2-ol
CID 142891903
8-ethyl-4,7-dimethylundec-5-ene
CID 123271062
(4Z)-2,6-dimethylnona-1,4-diene
CID 142337517
(E)-3,5-dimethyloct-3-ene
CID 169006712
(E)-N,4-dimethylhept-2-en-1-amine
CID 131243211
(3E,8E)-10-hydroxy-7-methylundeca-3,8-dien-2-one
CID 162415721
(E)-3,5-dimethyloct-3-en-2-ol
CID 87272540
(4S,5Z,7E,9E,11R)-tetradeca-5,7,9-triene-4,11-diol
CID 170250028

Frequently Asked Questions

What is the IUPAC name of (E)-5-methyloct-3-en-2-ol?
The IUPAC name of (E)-5-methyloct-3-en-2-ol (CID 87272942) is (E)-5-methyloct-3-en-2-ol.
What is the SMILES notation for (E)-5-methyloct-3-en-2-ol?
The canonical SMILES for (E)-5-methyloct-3-en-2-ol is CCCC(C)/C=C/C(C)O.
What is the InChIKey of (E)-5-methyloct-3-en-2-ol?
The InChIKey is NADBFXMYXRNYQJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H18O/c1-4-5-8(2)6-7-9(3)10/h6-10H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-5-methyloct-3-en-2-ol?
(E)-5-methyloct-3-en-2-ol has a molecular weight of 142.24 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methyloct-3-en-2-ol is sourced from PubChem (CID 87272942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).