7-hydroxyoctan-3-yl prop-2-enoate

C11H20O3 — CID 88696843

IUPAC7-hydroxyoctan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CCCC(C)O
InChIInChI=1S/C11H20O3/c1-4-10(14-11(13)5-2)8-6-7-9(3)12/h5,9-10,12H,2,4,6-8H2,1,3H3
InChIKeyWFEKUZHNMKJHPI-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.05
Rot. Bonds7

About 7-hydroxyoctan-3-yl prop-2-enoate

7-hydroxyoctan-3-yl prop-2-enoate (PubChem CID 88696843) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 7-hydroxyoctan-3-yl prop-2-enoate.

Molecular Properties

Compound Name7-hydroxyoctan-3-yl prop-2-enoate
PubChem CID88696843
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name7-hydroxyoctan-3-yl prop-2-enoate
SMILESC=CC(=O)OC(CC)CCCC(C)O
InChIInChI=1S/C11H20O3/c1-4-10(14-11(13)5-2)8-6-7-9(3)12/h5,9-10,12H,2,4,6-8H2,1,3H3
InChIKeyWFEKUZHNMKJHPI-UHFFFAOYSA-N
XLogP2.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[(3S)-octan-3-yl] prop-2-enoate
CID 93001261
dodecan-3-yl prop-2-enoate
CID 543279
octan-3-yl prop-2-enoate;prop-2-enoic acid
CID 87087074
ethanol;octan-3-yl prop-2-enoate
CID 158914224
4-prop-2-enoyloxyhexane-1-sulfonic acid
CID 154020231
5-prop-2-enoyloxynonan-3-yl prop-2-enoate
CID 102116715
but-3-enoic acid;octan-3-yl prop-2-enoate
CID 174501721
heptadecan-8-yl prop-2-enoate
CID 121420657
octadecan-6-yl prop-2-enoate
CID 91523695
tridecan-5-yl prop-2-enoate
CID 141073146
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
6-[4-[4-(4-prop-2-enoyloxyhexoxy)phenyl]phenoxy]hexan-3-yl prop-2-enoate
CID 90003140

Frequently Asked Questions

What is the IUPAC name of 7-hydroxyoctan-3-yl prop-2-enoate?
The IUPAC name of 7-hydroxyoctan-3-yl prop-2-enoate (CID 88696843) is 7-hydroxyoctan-3-yl prop-2-enoate.
What is the SMILES notation for 7-hydroxyoctan-3-yl prop-2-enoate?
The canonical SMILES for 7-hydroxyoctan-3-yl prop-2-enoate is C=CC(=O)OC(CC)CCCC(C)O.
What is the InChIKey of 7-hydroxyoctan-3-yl prop-2-enoate?
The InChIKey is WFEKUZHNMKJHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-4-10(14-11(13)5-2)8-6-7-9(3)12/h5,9-10,12H,2,4,6-8H2,1,3H3.
What are the key properties of 7-hydroxyoctan-3-yl prop-2-enoate?
7-hydroxyoctan-3-yl prop-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxyoctan-3-yl prop-2-enoate is sourced from PubChem (CID 88696843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).