(E)-2-methyloct-4-en-3-ol

C9H18O — CID 15448525

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

About (E)-2-methyloct-4-en-3-ol

(E)-2-methyloct-4-en-3-ol (PubChem CID 15448525) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (E)-2-methyloct-4-en-3-ol.

Molecular Properties

Compound Name(E)-2-methyloct-4-en-3-ol
PubChem CID15448525
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(E)-2-methyloct-4-en-3-ol
SMILESCCC/C=C/C(O)C(C)C
InChIInChI=1S/C9H18O/c1-4-5-6-7-9(10)8(2)3/h6-10H,4-5H2,1-3H3/b7-6+
InChIKeyHZYRZLVSSYYSDP-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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Frequently Asked Questions

What is the IUPAC name of (E)-2-methyloct-4-en-3-ol?
The IUPAC name of (E)-2-methyloct-4-en-3-ol (CID 15448525) is (E)-2-methyloct-4-en-3-ol.
What is the SMILES notation for (E)-2-methyloct-4-en-3-ol?
The canonical SMILES for (E)-2-methyloct-4-en-3-ol is CCC/C=C/C(O)C(C)C.
What is the InChIKey of (E)-2-methyloct-4-en-3-ol?
The InChIKey is HZYRZLVSSYYSDP-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H18O/c1-4-5-6-7-9(10)8(2)3/h6-10H,4-5H2,1-3H3/b7-6+.
What are the key properties of (E)-2-methyloct-4-en-3-ol?
(E)-2-methyloct-4-en-3-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)-2-methyloct-4-en-3-ol is sourced from PubChem (CID 15448525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).