14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate

C19H14O2 — CID 164546604

IUPAC14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=Cc2cccc3c2C1=C1C=CC=C1C3
InChIInChI=1S/C19H14O2/c1-11(2)19(20)21-16-10-14-7-3-6-13-9-12-5-4-8-15(12)18(16)17(13)14/h3-8,10H,1,9H2,2H3
InChIKeyCIUUNMKLNZBDGV-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.97
Rot. Bonds2

About 14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate

14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate (PubChem CID 164546604) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate
PubChem CID164546604
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1=Cc2cccc3c2C1=C1C=CC=C1C3
InChIInChI=1S/C19H14O2/c1-11(2)19(20)21-16-10-14-7-3-6-13-9-12-5-4-8-15(12)18(16)17(13)14/h3-8,10H,1,9H2,2H3
InChIKeyCIUUNMKLNZBDGV-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate?
The IUPAC name of 14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate (CID 164546604) is 14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate.
What is the SMILES notation for 14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate?
The canonical SMILES for 14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate is C=C(C)C(=O)OC1=Cc2cccc3c2C1=C1C=CC=C1C3.
What is the InChIKey of 14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate?
The InChIKey is CIUUNMKLNZBDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O2/c1-11(2)19(20)21-16-10-14-7-3-6-13-9-12-5-4-8-15(12)18(16)17(13)14/h3-8,10H,1,9H2,2H3.
What are the key properties of 14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate?
14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate has a molecular weight of 274.32 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-tetracyclo[6.6.1.02,6.012,15]pentadeca-1,3,5,8(15),9,11,13-heptaenyl 2-methylprop-2-enoate is sourced from PubChem (CID 164546604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).