(Z)-2-methyloct-3-en-2-ol

C9H18O — CID 5366246

IUPAC(Z)-2-methyloct-3-en-2-ol
SMILESCCCC/C=C\C(C)(C)O
InChIInChI=1S/C9H18O/c1-4-5-6-7-8-9(2,3)10/h7-8,10H,4-6H2,1-3H3/b8-7-
InChIKeyACFQKNIZLQUKQA-FPLPWBNLSA-N
MW142.24 g/mol
LogP2.50
Rot. Bonds4

About (Z)-2-methyloct-3-en-2-ol

(Z)-2-methyloct-3-en-2-ol (PubChem CID 5366246) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is (Z)-2-methyloct-3-en-2-ol.

Molecular Properties

Compound Name(Z)-2-methyloct-3-en-2-ol
PubChem CID5366246
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name(Z)-2-methyloct-3-en-2-ol
SMILESCCCC/C=C\C(C)(C)O
InChIInChI=1S/C9H18O/c1-4-5-6-7-8-9(2,3)10/h7-8,10H,4-6H2,1-3H3/b8-7-
InChIKeyACFQKNIZLQUKQA-FPLPWBNLSA-N
XLogP2.50
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 ≤ 52.50
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 (Z)-2-methyloct-3-en-2-ol?
The IUPAC name of (Z)-2-methyloct-3-en-2-ol (CID 5366246) is (Z)-2-methyloct-3-en-2-ol.
What is the SMILES notation for (Z)-2-methyloct-3-en-2-ol?
The canonical SMILES for (Z)-2-methyloct-3-en-2-ol is CCCC/C=C\C(C)(C)O.
What is the InChIKey of (Z)-2-methyloct-3-en-2-ol?
The InChIKey is ACFQKNIZLQUKQA-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H18O/c1-4-5-6-7-8-9(2,3)10/h7-8,10H,4-6H2,1-3H3/b8-7-.
What are the key properties of (Z)-2-methyloct-3-en-2-ol?
(Z)-2-methyloct-3-en-2-ol has a molecular weight of 142.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyloct-3-en-2-ol is sourced from PubChem (CID 5366246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).