3-(diethylamino)-3-methyloct-7-en-4-ol

C13H27NO — CID 79063461

IUPAC3-(diethylamino)-3-methyloct-7-en-4-ol
SMILESC=CCCC(O)C(C)(CC)N(CC)CC
InChIInChI=1S/C13H27NO/c1-6-10-11-12(15)13(5,7-2)14(8-3)9-4/h6,12,15H,1,7-11H2,2-5H3
InChIKeyBELVOAPKWNZMPV-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.82
Rot. Bonds8

About 3-(diethylamino)-3-methyloct-7-en-4-ol

3-(diethylamino)-3-methyloct-7-en-4-ol (PubChem CID 79063461) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(diethylamino)-3-methyloct-7-en-4-ol.

Molecular Properties

Compound Name3-(diethylamino)-3-methyloct-7-en-4-ol
PubChem CID79063461
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(diethylamino)-3-methyloct-7-en-4-ol
SMILESC=CCCC(O)C(C)(CC)N(CC)CC
InChIInChI=1S/C13H27NO/c1-6-10-11-12(15)13(5,7-2)14(8-3)9-4/h6,12,15H,1,7-11H2,2-5H3
InChIKeyBELVOAPKWNZMPV-UHFFFAOYSA-N
XLogP2.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-(diethylamino)-3-methyloct-7-en-4-ol?
The IUPAC name of 3-(diethylamino)-3-methyloct-7-en-4-ol (CID 79063461) is 3-(diethylamino)-3-methyloct-7-en-4-ol.
What is the SMILES notation for 3-(diethylamino)-3-methyloct-7-en-4-ol?
The canonical SMILES for 3-(diethylamino)-3-methyloct-7-en-4-ol is C=CCCC(O)C(C)(CC)N(CC)CC.
What is the InChIKey of 3-(diethylamino)-3-methyloct-7-en-4-ol?
The InChIKey is BELVOAPKWNZMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-6-10-11-12(15)13(5,7-2)14(8-3)9-4/h6,12,15H,1,7-11H2,2-5H3.
What are the key properties of 3-(diethylamino)-3-methyloct-7-en-4-ol?
3-(diethylamino)-3-methyloct-7-en-4-ol has a molecular weight of 213.36 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-methyloct-7-en-4-ol is sourced from PubChem (CID 79063461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).