(9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene]

C32H48 — CID 163804615

IUPAC(9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene]
SMILESC(=C1CCC1)C1CCCC2(CC1)CCC1C2=C2C/C(=C/C3CCCCCCCCC3)CC21
InChIInChI=1S/C32H48/c1-2-4-6-10-24(11-7-5-3-1)21-27-22-29-28-16-19-32(31(28)30(29)23-27)17-9-14-26(15-18-32)20-25-12-8-13-25/h20-21,24,26,28-29H,1-19,22-23H2/b27-21+
InChIKeyNHYRGZHUMDHLDA-SZXQPVLSSA-N
MW432.74 g/mol
LogP9.86
Rot. Bonds2

About (9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene]

(9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene] (PubChem CID 163804615) has the molecular formula C32H48 and a molecular weight of 432.74 g/mol. Its IUPAC name is (9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene].

Molecular Properties

Compound Name(9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene]
PubChem CID163804615
Molecular FormulaC32H48
Molecular Weight432.74 g/mol
Exact Mass432.38
IUPAC Name(9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene]
SMILESC(=C1CCC1)C1CCCC2(CC1)CCC1C2=C2C/C(=C/C3CCCCCCCCC3)CC21
InChIInChI=1S/C32H48/c1-2-4-6-10-24(11-7-5-3-1)21-27-22-29-28-16-19-32(31(28)30(29)23-27)17-9-14-26(15-18-32)20-25-12-8-13-25/h20-21,24,26,28-29H,1-19,22-23H2/b27-21+
InChIKeyNHYRGZHUMDHLDA-SZXQPVLSSA-N
XLogP9.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.74
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene] with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene]?
The IUPAC name of (9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene] (CID 163804615) is (9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene].
What is the SMILES notation for (9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene]?
The canonical SMILES for (9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene] is C(=C1CCC1)C1CCCC2(CC1)CCC1C2=C2C/C(=C/C3CCCCCCCCC3)CC21.
What is the InChIKey of (9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene]?
The InChIKey is NHYRGZHUMDHLDA-SZXQPVLSSA-N. The full InChI is InChI=1S/C32H48/c1-2-4-6-10-24(11-7-5-3-1)21-27-22-29-28-16-19-32(31(28)30(29)23-27)17-9-14-26(15-18-32)20-25-12-8-13-25/h20-21,24,26,28-29H,1-19,22-23H2/b27-21+.
What are the key properties of (9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene]?
(9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene] has a molecular weight of 432.74 g/mol, XLogP of 9.86, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (9'E)-4-(cyclobutylidenemethyl)-9'-(cyclodecylmethylidene)spiro[cycloheptane-1,3'-tricyclo[5.3.0.02,6]dec-1-ene] is sourced from PubChem (CID 163804615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).