(E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol

C13H24O — CID 6441969

IUPAC(E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol
SMILESCC/C=C/C(CC)(CO)CC=C(C)C
InChIInChI=1S/C13H24O/c1-5-7-9-13(6-2,11-14)10-8-12(3)4/h7-9,14H,5-6,10-11H2,1-4H3/b9-7+
InChIKeyFVVHZRFAPSXWTL-VQHVLOKHSA-N
MW196.33 g/mol
LogP3.70
Rot. Bonds6

About (E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol

(E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol (PubChem CID 6441969) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol.

Molecular Properties

Compound Name(E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol
PubChem CID6441969
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol
SMILESCC/C=C/C(CC)(CO)CC=C(C)C
InChIInChI=1S/C13H24O/c1-5-7-9-13(6-2,11-14)10-8-12(3)4/h7-9,14H,5-6,10-11H2,1-4H3/b9-7+
InChIKeyFVVHZRFAPSXWTL-VQHVLOKHSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.70
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-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol?
The IUPAC name of (E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol (CID 6441969) is (E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol.
What is the SMILES notation for (E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol?
The canonical SMILES for (E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol is CC/C=C/C(CC)(CO)CC=C(C)C.
What is the InChIKey of (E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol?
The InChIKey is FVVHZRFAPSXWTL-VQHVLOKHSA-N. The full InChI is InChI=1S/C13H24O/c1-5-7-9-13(6-2,11-14)10-8-12(3)4/h7-9,14H,5-6,10-11H2,1-4H3/b9-7+.
What are the key properties of (E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol?
(E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-2-(3-methylbut-2-enyl)hex-3-en-1-ol is sourced from PubChem (CID 6441969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).