iodo 2-methyldec-9-enoate

C11H19IO2 — CID 87697423

IUPACiodo 2-methyldec-9-enoate
SMILESC=CCCCCCCC(C)C(=O)OI
InChIInChI=1S/C11H19IO2/c1-3-4-5-6-7-8-9-10(2)11(13)14-12/h3,10H,1,4-9H2,2H3
InChIKeyJMMWPGZMKSGBMW-UHFFFAOYSA-N
MW310.18 g/mol
LogP4.04
Rot. Bonds8

About iodo 2-methyldec-9-enoate

iodo 2-methyldec-9-enoate (PubChem CID 87697423) has the molecular formula C11H19IO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is iodo 2-methyldec-9-enoate.

Molecular Properties

Compound Nameiodo 2-methyldec-9-enoate
PubChem CID87697423
Molecular FormulaC11H19IO2
Molecular Weight310.18 g/mol
Exact Mass310.04
IUPAC Nameiodo 2-methyldec-9-enoate
SMILESC=CCCCCCCC(C)C(=O)OI
InChIInChI=1S/C11H19IO2/c1-3-4-5-6-7-8-9-10(2)11(13)14-12/h3,10H,1,4-9H2,2H3
InChIKeyJMMWPGZMKSGBMW-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2R)-2-methylnon-8-enoate
CID 58289580
(2R)-2-methylnon-8-enoic acid
CID 129385535
2-methylpropyl 2-oct-7-enyldec-9-enoate
CID 177270214
(4S,8R,12R)-13-hept-6-enoxy-4,8,12-trimethyl-13-oxotridecanoic acid
CID 162863126
oct-7-enyl 2-methylpropanoate
CID 87633860
2-methylhex-5-enyl undec-10-enoate
CID 11150207
25-methylhexacos-1-ene
CID 141407501
26-methylheptacos-1-ene
CID 154926473
2-hydroxybutyl 10-hydroxyhexadec-15-enoate
CID 157441830
non-8-en-2-ylcarbamic acid
CID 175945835
4-hydroxydodec-11-enoic acid
CID 139805445
nonacosa-1,28-dien-15-yl acetate
CID 101064980

Frequently Asked Questions

What is the IUPAC name of iodo 2-methyldec-9-enoate?
The IUPAC name of iodo 2-methyldec-9-enoate (CID 87697423) is iodo 2-methyldec-9-enoate.
What is the SMILES notation for iodo 2-methyldec-9-enoate?
The canonical SMILES for iodo 2-methyldec-9-enoate is C=CCCCCCCC(C)C(=O)OI.
What is the InChIKey of iodo 2-methyldec-9-enoate?
The InChIKey is JMMWPGZMKSGBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19IO2/c1-3-4-5-6-7-8-9-10(2)11(13)14-12/h3,10H,1,4-9H2,2H3.
What are the key properties of iodo 2-methyldec-9-enoate?
iodo 2-methyldec-9-enoate has a molecular weight of 310.18 g/mol, XLogP of 4.04, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 2-methyldec-9-enoate is sourced from PubChem (CID 87697423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).