6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate

C16H24O3 — CID 126490200

IUPAC6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate
SMILESC=C(C)CCCCCOC(=O)c1ccc(C(C)C)o1
InChIInChI=1S/C16H24O3/c1-12(2)8-6-5-7-11-18-16(17)15-10-9-14(19-15)13(3)4/h9-10,13H,1,5-8,11H2,2-4H3
InChIKeyAYPBXKNZAQQMSA-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.70
Rot. Bonds8

About 6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate

6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate (PubChem CID 126490200) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate.

Molecular Properties

Compound Name6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate
PubChem CID126490200
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate
SMILESC=C(C)CCCCCOC(=O)c1ccc(C(C)C)o1
InChIInChI=1S/C16H24O3/c1-12(2)8-6-5-7-11-18-16(17)15-10-9-14(19-15)13(3)4/h9-10,13H,1,5-8,11H2,2-4H3
InChIKeyAYPBXKNZAQQMSA-UHFFFAOYSA-N
XLogP4.70
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(6-methylheptyl) furan-2,5-dicarboxylate
CID 126569599
6-(5-bromofuran-2-carbonyl)oxyhexyl 5-bromofuran-2-carboxylate
CID 4926795
7-methyloct-7-enyl 2-methylprop-2-enoate
CID 54224103
3-methoxypropyl 5-acetylfuran-2-carboxylate
CID 90295960
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
octyl 5-nitrofuran-2-carboxylate
CID 5106395
5-[2-[5-[2-(5-carboxyfuran-2-carbonyl)oxyethoxycarbonyl]furan-2-carbonyl]oxyethoxycarbonyl]furan-2-carboxylic acid;ethane
CID 145318532
ethyl 5-(1-diethoxyphosphorylethyl)furan-2-carboxylate
CID 12992035
1-O-butyl 2-O-(3-methylbut-3-enyl) benzene-1,2-dicarboxylate
CID 91719825
8-methylnon-8-enoxymethylbenzene
CID 10776845
5-(2-methylprop-2-enoyloxy)pentyl 3,5-diaminofuran-2-carboxylate
CID 174584526
2,14-dimethylpentadeca-1,14-diene
CID 123962057

Frequently Asked Questions

What is the IUPAC name of 6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate?
The IUPAC name of 6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate (CID 126490200) is 6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate.
What is the SMILES notation for 6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate?
The canonical SMILES for 6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate is C=C(C)CCCCCOC(=O)c1ccc(C(C)C)o1.
What is the InChIKey of 6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate?
The InChIKey is AYPBXKNZAQQMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-12(2)8-6-5-7-11-18-16(17)15-10-9-14(19-15)13(3)4/h9-10,13H,1,5-8,11H2,2-4H3.
What are the key properties of 6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate?
6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 4.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylhept-6-enyl 5-propan-2-ylfuran-2-carboxylate is sourced from PubChem (CID 126490200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).