15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene

C27H32 — CID 10473494

IUPAC15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
SMILESC#CC1C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C27H32/c1-2-21-22-15-3-7-17(8-4-15)24(22)26-19-11-13-20(14-12-19)27(26)25-18-9-5-16(6-10-18)23(21)25/h1,15-21H,3-14H2
InChIKeyFUOQHHQAVACGRU-UHFFFAOYSA-N
MW356.55 g/mol
LogP6.60
Rot. Bonds

About 15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene

15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene (PubChem CID 10473494) has the molecular formula C27H32 and a molecular weight of 356.55 g/mol. Its IUPAC name is 15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene.

Molecular Properties

Compound Name15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
PubChem CID10473494
Molecular FormulaC27H32
Molecular Weight356.55 g/mol
Exact Mass356.25
IUPAC Name15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
SMILESC#CC1C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
InChIInChI=1S/C27H32/c1-2-21-22-15-3-7-17(8-4-15)24(22)26-19-11-13-20(14-12-19)27(26)25-18-9-5-16(6-10-18)23(21)25/h1,15-21H,3-14H2
InChIKeyFUOQHHQAVACGRU-UHFFFAOYSA-N
XLogP6.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.55
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Heptacyclo[20.2.2.26,9.214,17.02,21.05,10.013,18]triaconta-2(21),5(10),13(18)-trien-3,11,19-triyne
CID 10500624
Heptacyclo[26.2.2.28,11.218,21.02,27.07,12.017,22]hexatriaconta-2(27),7(12),17(22)-trien-3,5,13,15,23,25-hexayne
CID 10576036
Pentacyclo[16.2.2.28,11.02,17.07,12]tetracosa-2(17),7(12)-dien-3,5,13,15-tetrayne
CID 10757213
15-[2-(15-Heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trienyl)ethynyl]heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
CID 9987124
15,15-Dimethyl-15-stannaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
CID 10027573
2-(15-Heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-trienyl)ethynyl-trimethylsilane
CID 10094115
15,15-Dimethyl-15-germaheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
CID 10319991
2-Ethynyl-3-[4-(3-ethynyl-2-bicyclo[2.2.2]oct-2-enyl)buta-1,3-diynyl]bicyclo[2.2.2]oct-2-ene
CID 10495184
Nonacyclo[28.2.2.26,9.214,17.222,25.02,29.05,10.013,18.021,26]tetraconta-2(29),5(10),13(18),21(26)-tetraen-3,11,19,27-tetrayne
CID 10792087
Heptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene
CID 15962783

Frequently Asked Questions

What is the IUPAC name of 15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
The IUPAC name of 15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene (CID 10473494) is 15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene.
What is the SMILES notation for 15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
The canonical SMILES for 15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene is C#CC1C2=C(C3=C(C4=C1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1.
What is the InChIKey of 15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
The InChIKey is FUOQHHQAVACGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32/c1-2-21-22-15-3-7-17(8-4-15)24(22)26-19-11-13-20(14-12-19)27(26)25-18-9-5-16(6-10-18)23(21)25/h1,15-21H,3-14H2.
What are the key properties of 15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene?
15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene has a molecular weight of 356.55 g/mol, XLogP of 6.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-ethynylheptacyclo[15.2.2.24,7.210,13.02,16.03,8.09,14]pentacosa-2(16),3(8),9(14)-triene is sourced from PubChem (CID 10473494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).