2-hydroxyethyl 2-methylhept-2-enoate

C10H18O3 — CID 154084583

IUPAC2-hydroxyethyl 2-methylhept-2-enoate
SMILESCCCCC=C(C)C(=O)OCCO
InChIInChI=1S/C10H18O3/c1-3-4-5-6-9(2)10(12)13-8-7-11/h6,11H,3-5,7-8H2,1-2H3
InChIKeyRXWJHNSREXPMOW-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.66
Rot. Bonds6

About 2-hydroxyethyl 2-methylhept-2-enoate

2-hydroxyethyl 2-methylhept-2-enoate (PubChem CID 154084583) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylhept-2-enoate.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylhept-2-enoate
PubChem CID154084583
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-hydroxyethyl 2-methylhept-2-enoate
SMILESCCCCC=C(C)C(=O)OCCO
InChIInChI=1S/C10H18O3/c1-3-4-5-6-9(2)10(12)13-8-7-11/h6,11H,3-5,7-8H2,1-2H3
InChIKeyRXWJHNSREXPMOW-UHFFFAOYSA-N
XLogP1.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl (E)-2-methylhept-2-enoate
CID 13122849
dodecyl 2-methylhenicos-2-enoate
CID 57172953
3-hydroxypropyl 2-methylhex-2-enoate
CID 139671823
propyl 2-methyltridec-2-enoate
CID 174821186
heptyl 2-methylhexadec-2-enoate
CID 174820936
heptyl 2-methylundec-2-enoate
CID 174231744
icosyl 2-methyltricos-2-enoate
CID 90881383
nonyl 2-methylnon-2-enoate
CID 175301846
2-hydroxyethyl 2-methylpent-2-enoate
CID 137318053
2-cyanoethyl 2-methylhept-2-enoate
CID 174782105
methyl (E)-2-methylhept-2-enoate
CID 13122847
2-(2-methylprop-2-enoyloxy)ethyl 2-methylheptadec-2-enoate
CID 175232139

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylhept-2-enoate?
The IUPAC name of 2-hydroxyethyl 2-methylhept-2-enoate (CID 154084583) is 2-hydroxyethyl 2-methylhept-2-enoate.
What is the SMILES notation for 2-hydroxyethyl 2-methylhept-2-enoate?
The canonical SMILES for 2-hydroxyethyl 2-methylhept-2-enoate is CCCCC=C(C)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-methylhept-2-enoate?
The InChIKey is RXWJHNSREXPMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-4-5-6-9(2)10(12)13-8-7-11/h6,11H,3-5,7-8H2,1-2H3.
What are the key properties of 2-hydroxyethyl 2-methylhept-2-enoate?
2-hydroxyethyl 2-methylhept-2-enoate has a molecular weight of 186.25 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylhept-2-enoate is sourced from PubChem (CID 154084583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).