methyl 2-prop-2-enylhex-2-enoate

C10H16O2 — CID 174771854

IUPACmethyl 2-prop-2-enylhex-2-enoate
SMILESC=CCC(=CCCC)C(=O)OC
InChIInChI=1S/C10H16O2/c1-4-6-8-9(7-5-2)10(11)12-3/h5,8H,2,4,6-7H2,1,3H3
InChIKeyLZSBXISTCPGCOY-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.46
Rot. Bonds5

About methyl 2-prop-2-enylhex-2-enoate

methyl 2-prop-2-enylhex-2-enoate (PubChem CID 174771854) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 2-prop-2-enylhex-2-enoate.

Molecular Properties

Compound Namemethyl 2-prop-2-enylhex-2-enoate
PubChem CID174771854
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 2-prop-2-enylhex-2-enoate
SMILESC=CCC(=CCCC)C(=O)OC
InChIInChI=1S/C10H16O2/c1-4-6-8-9(7-5-2)10(11)12-3/h5,8H,2,4,6-7H2,1,3H3
InChIKeyLZSBXISTCPGCOY-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methoxycarbonylhex-2-ene-1-sulfinic acid
CID 14116063
methyl (E,4S)-4-methyl-2-prop-2-enylhex-2-enoate
CID 57408028
methyl (2E)-2-(pentylsulfanylmethylidene)pent-4-enoate
CID 12950005
prop-2-enyl 2-ethylhex-2-enoate
CID 139948290
methyl (E)-2-methylhex-2-enoate
CID 5364816
methyl (Z)-2-butylhept-2-enoate
CID 11550182
methyl (Z)-2-chlorohex-2-enoate
CID 12547214
methyl 2-octa-2,7-dienylundeca-2,5,10-trienoate
CID 71373917
methyl (E)-2-ethyldec-2-enoate
CID 25232141
[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
CID 87703227
methyl (E)-2-acetylhex-2-enoate
CID 12838651
methyl 2-pentylidenehexadecanoate
CID 174821215

Frequently Asked Questions

What is the IUPAC name of methyl 2-prop-2-enylhex-2-enoate?
The IUPAC name of methyl 2-prop-2-enylhex-2-enoate (CID 174771854) is methyl 2-prop-2-enylhex-2-enoate.
What is the SMILES notation for methyl 2-prop-2-enylhex-2-enoate?
The canonical SMILES for methyl 2-prop-2-enylhex-2-enoate is C=CCC(=CCCC)C(=O)OC.
What is the InChIKey of methyl 2-prop-2-enylhex-2-enoate?
The InChIKey is LZSBXISTCPGCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-6-8-9(7-5-2)10(11)12-3/h5,8H,2,4,6-7H2,1,3H3.
What are the key properties of methyl 2-prop-2-enylhex-2-enoate?
methyl 2-prop-2-enylhex-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-prop-2-enylhex-2-enoate is sourced from PubChem (CID 174771854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).