2-ethyl-2-prop-1-enylhex-3-en-1-ol

C11H20O — CID 140998508

IUPAC2-ethyl-2-prop-1-enylhex-3-en-1-ol
SMILESCC=CC(C=CCC)(CC)CO
InChIInChI=1S/C11H20O/c1-4-7-9-11(6-3,10-12)8-5-2/h5,7-9,12H,4,6,10H2,1-3H3
InChIKeyMYYLOFIJGXLEJO-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.92
Rot. Bonds5

About 2-ethyl-2-prop-1-enylhex-3-en-1-ol

2-ethyl-2-prop-1-enylhex-3-en-1-ol (PubChem CID 140998508) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 2-ethyl-2-prop-1-enylhex-3-en-1-ol.

Molecular Properties

Compound Name2-ethyl-2-prop-1-enylhex-3-en-1-ol
PubChem CID140998508
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name2-ethyl-2-prop-1-enylhex-3-en-1-ol
SMILESCC=CC(C=CCC)(CC)CO
InChIInChI=1S/C11H20O/c1-4-7-9-11(6-3,10-12)8-5-2/h5,7-9,12H,4,6,10H2,1-3H3
InChIKeyMYYLOFIJGXLEJO-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.92
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

2-but-1-enyl-2-ethylhept-3-en-1-ol
CID 151580636
3-ethylhex-4-en-3-ol
CID 54219311
6-ethenyl-4-methyl-5,6-bis(prop-1-enyl)deca-2,4,7-triene
CID 141300507
2-hydroxyethyl (E)-2-ethyl-2-methylpent-3-enoate
CID 173486801
(E)-2,2-dimethylhex-3-ene
CID 5357261
2-ethyl-2-(3-methylbut-3-enyl)hex-3-en-1-ol
CID 140998277
(E)-but-2-ene;(Z)-pent-2-ene
CID 143108402
CID 162303422
CID 162303422
germane;pent-2-ene
CID 174678272
(E)-2,2-difluoropent-3-en-1-ol;ethane
CID 143806993
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;prop-1-ene;hydrate
CID 174496072
[(E)-3-ethylhept-4-en-3-yl]azanium chloride
CID 6434664

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-prop-1-enylhex-3-en-1-ol?
The IUPAC name of 2-ethyl-2-prop-1-enylhex-3-en-1-ol (CID 140998508) is 2-ethyl-2-prop-1-enylhex-3-en-1-ol.
What is the SMILES notation for 2-ethyl-2-prop-1-enylhex-3-en-1-ol?
The canonical SMILES for 2-ethyl-2-prop-1-enylhex-3-en-1-ol is CC=CC(C=CCC)(CC)CO.
What is the InChIKey of 2-ethyl-2-prop-1-enylhex-3-en-1-ol?
The InChIKey is MYYLOFIJGXLEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-7-9-11(6-3,10-12)8-5-2/h5,7-9,12H,4,6,10H2,1-3H3.
What are the key properties of 2-ethyl-2-prop-1-enylhex-3-en-1-ol?
2-ethyl-2-prop-1-enylhex-3-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-prop-1-enylhex-3-en-1-ol is sourced from PubChem (CID 140998508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).