2-but-1-enyl-2-ethylhept-3-en-1-ol

C13H24O — CID 151580636

IUPAC2-but-1-enyl-2-ethylhept-3-en-1-ol
SMILESCCC=CC(C=CCCC)(CC)CO
InChIInChI=1S/C13H24O/c1-4-7-9-11-13(6-3,12-14)10-8-5-2/h8-11,14H,4-7,12H2,1-3H3
InChIKeyQGKHNEGOGXVQCR-UHFFFAOYSA-N
MW196.33 g/mol
LogP3.70
Rot. Bonds7

About 2-but-1-enyl-2-ethylhept-3-en-1-ol

2-but-1-enyl-2-ethylhept-3-en-1-ol (PubChem CID 151580636) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is 2-but-1-enyl-2-ethylhept-3-en-1-ol.

Molecular Properties

Compound Name2-but-1-enyl-2-ethylhept-3-en-1-ol
PubChem CID151580636
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name2-but-1-enyl-2-ethylhept-3-en-1-ol
SMILESCCC=CC(C=CCCC)(CC)CO
InChIInChI=1S/C13H24O/c1-4-7-9-11-13(6-3,12-14)10-8-5-2/h8-11,14H,4-7,12H2,1-3H3
InChIKeyQGKHNEGOGXVQCR-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
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 2-but-1-enyl-2-ethylhept-3-en-1-ol?
The IUPAC name of 2-but-1-enyl-2-ethylhept-3-en-1-ol (CID 151580636) is 2-but-1-enyl-2-ethylhept-3-en-1-ol.
What is the SMILES notation for 2-but-1-enyl-2-ethylhept-3-en-1-ol?
The canonical SMILES for 2-but-1-enyl-2-ethylhept-3-en-1-ol is CCC=CC(C=CCCC)(CC)CO.
What is the InChIKey of 2-but-1-enyl-2-ethylhept-3-en-1-ol?
The InChIKey is QGKHNEGOGXVQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O/c1-4-7-9-11-13(6-3,12-14)10-8-5-2/h8-11,14H,4-7,12H2,1-3H3.
What are the key properties of 2-but-1-enyl-2-ethylhept-3-en-1-ol?
2-but-1-enyl-2-ethylhept-3-en-1-ol has a molecular weight of 196.33 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enyl-2-ethylhept-3-en-1-ol is sourced from PubChem (CID 151580636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).